%chk=000081808.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081808

0 1
 O   -6.212600      0.4707000     -0.2360000    
 N    5.324600      0.1015000      0.1757000    
 N  -0.2227000      0.1816000     -0.5904000    
 N   -4.950200      0.4229000     -6.0899999E-02
 N  -0.8039000      0.3188000      0.5110000    
 C    3.927400      0.1166000     -1.7200001E-02
 C    1.823900      -1.061200     -0.1754000    
 C    3.205700      -1.076500      1.4800000E-02
 C    1.163800      0.1474000     -0.3975000    
 C    3.267400       1.325200     -0.2390000    
 C    1.885600       1.340600     -0.4292000    
 C    1.072100      -2.351400     -0.1379000    
 C    5.994500       1.236700      0.7782000    
 C    6.106600      -1.055100     -0.2134000    
 C   -4.302400     -0.7775000      0.1588000    
 C   -2.195300      0.3533000      0.3167000    
 C   -2.925300     -0.8258000      0.3491000    
 C   -2.830400       1.566900      9.7199999E-02
 C   -4.208600       1.588200     -9.0099998E-02
 C   -5.120200      -2.022900      0.1855000    
 H    3.702500      -2.025200      0.2007000    
 H    3.800900       2.270500     -0.2819000    
 H    1.381100       2.287300     -0.6048000    
 H    1.745800      -3.215100     -0.1212000    
 H   0.4460000      -2.400700      0.7587000    
 H   0.4398000      -2.457800      -1.025800    
 H    5.429300       1.629900       1.630900    
 H    6.983100      0.9562000       1.158600    
 H    6.139500       2.036300      4.4199999E-02
 H    6.035100      -1.844300      0.5424000    
 H    5.781200      -1.453300      -1.181200    
 H    7.166200     -0.7970000     -0.3205000    
 H   -2.424500      -1.774600      0.5223000    
 H   -2.269300       2.496300      7.1300000E-02
 H   -4.778400       2.489000     -0.2660000    
 H   -4.503500      -2.909100      0.3685000    
 H   -5.868400      -1.969700      0.9829000    
 H   -5.628200      -2.165100     -0.7737000    


%chk=000081808-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000081808

0 1
O -6.491583 0.384141 -0.042295
N 5.432801 0.155899 0.147751
N -0.218692 -0.285166 0.022195
N -5.155964 0.461971 -0.019738
N -0.924716 0.834789 0.060780
C 4.042639 0.069946 0.115971
C 1.977778 -1.308975 0.014079
C 3.378848 -1.198808 0.045589
C 1.181037 -0.113738 0.054065
C 3.227383 1.253256 0.153917
C 1.836739 1.154083 0.123619
C 1.320854 -2.674221 -0.060869
C 6.092878 1.468574 0.218342
C 6.251677 -1.064715 0.109681
C -4.382554 -0.720611 -0.059264
C -2.324785 0.635357 0.029927
C -2.990142 -0.626941 -0.034439
C -3.135519 1.804428 0.067916
C -4.523925 1.701791 0.042624
C -5.167248 -1.998995 -0.125579
H 3.967210 -2.120351 0.014666
H 3.690740 2.242094 0.207935
H 1.210040 2.050923 0.153213
H 2.077632 -3.477503 -0.082109
H 0.653033 -2.840145 0.802874
H 0.688580 -2.760246 -0.962248
H 5.807465 2.021753 1.135115
H 7.184716 1.328353 0.233107
H 5.841955 2.100714 -0.656490
H 6.035621 -1.727998 0.970773
H 6.080413 -1.642831 -0.820255
H 7.317681 -0.792745 0.149417
H -2.386951 -1.537988 -0.064643
H -2.658878 2.787181 0.117648
H -5.206721 2.551748 0.069090
H -4.487589 -2.865148 -0.158447
H -5.840675 -2.088772 0.746282
H -5.823578 -2.007504 -1.014800


