%chk=000065621.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065621

0 1
 O   0.2747000      0.6502000     -3.4000002E-02
 O    2.155200       1.045500       1.234900    
 O   -4.056700      -3.214500      0.2086000    
 O   -4.160300      -1.512700      -1.395400    
 N   -1.147900       4.319800     -0.9577000    
 C   -2.145900       3.536600     -0.2047000    
 C  -2.5699999E-02   4.417300     -5.1000002E-03
 C   -2.101100       4.119700       1.211900    
 C  -0.6926000       4.704300       1.344700    
 C   -1.663300       2.073100     -0.2397000    
 C   0.6749000       3.044500     -1.9500000E-02
 C  -0.2684000       1.899000      0.3771000    
 C   -1.651500       5.626300      -1.374200    
 C    1.510100      0.3372000      0.4729000    
 C    1.963500      -1.013600     -7.3899999E-02
 C    1.449500      -2.154300      0.8330000    
 C    3.470200      -1.054100     -0.2887000    
 C  -2.5100000E-02  -2.437900      0.6656000    
 C    3.980100     -0.6661000      -1.510600    
 C    4.279500      -1.478200      0.7449000    
 C  -0.9394000      -1.763200       1.457500    
 C  -0.4334000      -3.367900     -0.2763000    
 C    5.360500     -0.7037000      -1.707600    
 C    5.660000      -1.515800      0.5481000    
 C    6.200400      -1.128600     -0.6783000    
 C   -2.300700      -2.025900       1.303200    
 C   -1.794600      -3.630500     -0.4306000    
 C   -2.728200      -2.959500      0.3592000    
 C   -4.695000      -2.394700     -0.7366000    
 C   -6.148700      -2.752200     -0.8285000    
 H   -3.149000       3.591700     -0.6423000    
 H   0.6993000       5.191700     -0.2803000    
 H   -2.840900       4.921200       1.323700    
 H   -2.307300       3.372000       1.984800    
 H  -0.1479000       4.268000       2.188200    
 H  -0.7611000       5.784500       1.520200    
 H   -1.655800       1.711100      -1.277100    
 H   -2.374100       1.426600      0.2904000    
 H    1.529000       3.117600      0.6601000    
 H    1.095600       2.854500      -1.016600    
 H  -0.3791000       1.875100       1.469400    
 H   -1.991100       6.256600     -0.5459000    
 H  -0.8723000       6.172400      -1.917400    
 H   -2.489000       5.500900      -2.069200    
 H    1.506700      -1.134300      -1.067600    
 H    1.640700      -1.928400       1.891200    
 H    1.994600      -3.085700      0.6252000    
 H    3.334400     -0.3308000      -2.316700    
 H    3.891400      -1.766600       1.715700    
 H  -0.6184000      -1.038300       2.199900    
 H   0.2860000      -3.893500     -0.8976000    
 H    5.781400     -0.4012000      -2.662000    
 H    6.314800      -1.842000       1.350900    
 H    7.275300      -1.156500     -0.8310000    
 H   -3.022400      -1.500000       1.922300    
 H   -2.120900      -4.358800      -1.168100    
 H   -6.629800      -2.592200      0.1395000    
 H   -6.633700      -2.111800      -1.570600    
 H   -6.253400      -3.793200      -1.143800    


%chk=000065621-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000065621

0 1
O 0.772800 0.700659 -0.580610
O 1.682562 0.386209 1.546084
O -4.074138 -2.433049 0.070422
O -4.273067 -0.131018 0.510396
N -1.350457 4.241760 -1.074183
C -2.215659 3.056074 -0.758830
C -0.455580 4.278748 0.129316
C -2.606572 3.224095 0.755850
C -1.411019 4.039110 1.360120
C -1.366239 1.780690 -0.997872
C 0.584256 3.138134 -0.030890
C -0.144532 1.780538 -0.064763
C -2.112070 5.494561 -1.287713
C 1.585196 0.054920 0.337845
C 2.258941 -1.159930 -0.307632
C 1.694400 -2.452931 0.398019
C 3.785488 -1.118824 -0.239496
C 0.176196 -2.516028 0.350167
C 4.543545 -1.352423 -1.414495
C 4.469280 -0.896715 0.984472
C -0.598878 -2.033413 1.436429
C -0.498883 -2.984319 -0.806091
C 5.956206 -1.370383 -1.372259
C 5.880655 -0.910093 1.026252
C 6.630057 -1.150289 -0.149427
C -2.006745 -1.984463 1.365922
C -1.906767 -2.941066 -0.895774
C -2.642432 -2.424162 0.188024
C -4.803283 -1.232522 0.266902
C -6.279976 -1.518709 0.118365
H -3.096701 3.040474 -1.423094
H 0.066729 5.249951 0.182104
H -3.554482 3.783197 0.850127
H -2.757572 2.244842 1.241804
H -0.897051 3.496857 2.173984
H -1.756181 5.002246 1.776627
H -1.021523 1.779312 -2.047310
H -1.974369 0.875538 -0.820378
H 1.316332 3.153478 0.796761
H 1.121167 3.290257 -0.984399
H -0.427755 1.483227 0.961798
H -2.756113 5.805371 -0.429760
H -1.404179 6.316559 -1.496930
H -2.761124 5.375054 -2.173641
H 1.942565 -1.178914 -1.364924
H 2.050949 -2.450593 1.443497
H 2.148572 -3.324252 -0.109255
H 4.024778 -1.516895 -2.367368
H 3.892268 -0.689418 1.892342
H -0.092015 -1.673426 2.338611
H 0.080375 -3.377498 -1.650284
H 6.527518 -1.550923 -2.289911
H 6.397261 -0.730927 1.976137
H 7.725275 -1.161479 -0.113645
H -2.595843 -1.598890 2.202613
H -2.434415 -3.294098 -1.787040
H -6.588598 -2.300231 0.833667
H -6.856748 -0.599591 0.293618
H -6.489307 -1.903692 -0.894804


