%chk=000038633.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038633

0 1
 O    2.580100      -1.376100     -0.1701000    
 O   -4.158800      0.1754000       1.052400    
 O    2.178500      0.7556000     -0.8945000    
 N    6.170800     -0.5007000      0.2135000    
 N   0.4954000     -0.5581000      7.6200001E-02
 C    6.997900     -0.3828000       1.422600    
 C    6.330400      0.6735000     -0.6559000    
 C    8.478500     -0.2389000       1.066700    
 C    7.789000      0.8520000      -1.079600    
 C    8.711400      0.9417000      0.1309000    
 C    4.764600     -0.6849000      0.5714000    
 C    3.943500      -1.249400     -0.5905000    
 C    4.415700      -2.625000      -1.043600    
 C   -7.748100      0.1548000     -5.7599999E-02
 C    1.782100     -0.2832000     -0.3805000    
 C   -8.899800     -0.8484000      5.1700000E-02
 C   -6.447300     -0.3426000      0.5705000    
 C   -10.19490     -0.3606000     -0.5988000    
 C   -5.342200      0.7002000      0.4666000    
 C  -0.6293000      0.2674000      5.8899999E-02
 C   -11.32520      -1.359200     -0.4001000    
 C   -2.966600      0.6299000      0.5514000    
 C   -1.842300     -0.1955000      0.5687000    
 C  -0.5406000       1.555700     -0.4684000    
 C   -2.877700       1.918200      2.4000000E-02
 C   -1.664800       2.381100     -0.4859000    
 H    6.886100      -1.282000       2.040800    
 H    6.679200      0.4739000       2.031100    
 H    5.983400       1.584300     -0.1502000    
 H    5.743300      0.5698000      -1.573700    
 H    9.068100     -0.1076000       1.981100    
 H    8.832400      -1.160500      0.5874000    
 H    8.094500      7.4000000E-03  -1.710300    
 H    7.889900       1.757900      -1.687900    
 H    9.757400      0.9641000     -0.1938000    
 H    8.519800       1.878400      0.6685000    
 H    4.675600      -1.395600       1.405200    
 H    4.320000      0.2475000      0.9447000    
 H    3.990700     -0.5981000      -1.469900    
 H    3.755200      -3.014700      -1.826300    
 H    5.435900      -2.597700      -1.437500    
 H    4.377300      -3.343400     -0.2172000    
 H   -7.573700      0.3841000      -1.116300    
 H   -8.047300       1.093900      0.4242000    
 H   -9.084400      -1.061500       1.112200    
 H   -8.597600      -1.795400     -0.4126000    
 H   -6.609100     -0.5976000       1.625200    
 H   -6.123100      -1.270600      8.3300002E-02
 H   -10.03410     -0.2006000      -1.671000    
 H   -10.48720      0.6032000     -0.1663000    
 H   -5.199000      0.9314000     -0.5971000    
 H   -5.633500       1.611700       1.001200    
 H   0.3597000      -1.484100      0.4749000    
 H   -11.07540      -2.327700     -0.8450000    
 H   -11.53150      -1.512200      0.6641000    
 H   -12.24120     -0.9934000     -0.8743000    
 H   -1.920100      -1.198700      0.9814000    
 H   0.3637000       1.983200     -0.8788000    
 H   -3.721100       2.602200      1.6700000E-02
 H   -1.594800       3.386800     -0.8904000    


%chk=000038633-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000038633

0 1
O 2.725555 -1.460411 -0.695176
O -4.131827 -0.293221 -0.257547
O 2.432615 0.838040 -1.156028
N 6.179792 -0.409688 0.414498
N 0.631216 -0.627156 -0.657719
C 7.029539 -0.728730 1.589659
C 6.283403 1.026270 0.039377
C 8.510013 -0.409659 1.294907
C 7.738233 1.401411 -0.305406
C 8.680502 1.068799 0.874731
C 4.775687 -0.858554 0.551512
C 4.210887 -1.293986 -0.822669
C 4.756579 -2.635558 -1.304340
C -7.910935 0.159167 0.010429
C 1.959618 -0.289791 -0.862270
C -9.053623 -0.795813 0.423031
C -6.519750 -0.513335 0.060114
C -10.449070 -0.133576 0.367155
C -5.399978 0.458003 -0.318143
C -0.510246 0.216496 -0.743077
C -11.585984 -1.089147 0.789009
C -2.946304 0.401734 -0.545984
C -1.767712 -0.374586 -0.475847
C -0.424894 1.595386 -1.081177
C -2.880900 1.776728 -0.885223
C -1.614112 2.347115 -1.145825
H 6.912299 -1.803550 1.823295
H 6.706492 -0.151415 2.496633
H 5.924798 1.678067 0.879685
H 5.618046 1.220636 -0.820816
H 9.120905 -0.635367 2.190386
H 8.856804 -1.068477 0.475062
H 8.051063 0.833141 -1.202741
H 7.790605 2.478741 -0.554805
H 9.732991 1.274454 0.601931
H 8.435514 1.725506 1.735554
H 4.734989 -1.724124 1.239576
H 4.119906 -0.062702 0.976982
H 4.391332 -0.494156 -1.563488
H 4.402331 -2.870611 -2.322490
H 5.859247 -2.581441 -1.310543
H 4.443747 -3.450493 -0.626866
H -8.104962 0.537944 -1.015026
H -7.920462 1.046473 0.678070
H -8.866688 -1.169220 1.451437
H -9.044847 -1.687715 -0.237717
H -6.324842 -0.906144 1.076561
H -6.492369 -1.378720 -0.629635
H -10.636699 0.234913 -0.662167
H -10.454167 0.761073 1.023083
H -5.546681 0.855484 -1.344617
H -5.360915 1.312459 0.390006
H 0.472765 -1.610467 -0.427233
H -11.623652 -1.976777 0.129483
H -11.437960 -1.448309 1.825007
H -12.572011 -0.591507 0.741812
H -1.857522 -1.434148 -0.210737
H 0.547134 2.046833 -1.284324
H -3.781481 2.392716 -0.947860
H -1.554612 3.409463 -1.408090


