%chk=000157473.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157473

0 1
 O    1.043700      -2.252100     -0.5500000    
 O    2.612900       2.138000     -0.3504000    
 O   -5.109600      -1.463400      0.3404000    
 O   -3.716300      -3.124100     -6.2000002E-03
 N    1.876400     -7.2499998E-02 -0.5248000    
 N    5.338200      -1.326000      0.1176000    
 N   -3.950600      -1.900300      0.1403000    
 C  -0.7298000      0.8405000     -4.8000000E-02
 C  -0.5103000     -0.5349000     -0.2065000    
 C   0.3171000       1.771300     -0.1033000    
 C   -2.050300       1.303900      0.1776000    
 C    3.223900     -0.5425000     -0.8288000    
 C   0.8594000      -1.041400     -0.4435000    
 C    1.703900       1.310800     -0.3377000    
 C   -1.575700      -1.441900     -0.1437000    
 C    4.006800     -0.8312000      0.4435000    
 C   6.7299999E-02   3.139600      6.1299998E-02
 C   -3.107100      0.3829000      0.2369000    
 C   -2.870100     -0.9806000      7.7299997E-02
 C   -2.284100       2.677800      0.3395000    
 C   -1.231600       3.588500      0.2817000    
 C    6.085800      -1.642400       1.326800    
 H    3.162600      -1.445800      -1.448100    
 H    3.741800      0.2191000      -1.425000    
 H   -1.380200      -2.504000     -0.2702000    
 H    4.078000      7.9499997E-02   1.050900    
 H    3.465700      -1.576900       1.039300    
 H   0.8700000       3.871000      2.0099999E-02
 H   -4.114700      0.7574000      0.4108000    
 H   -3.290700       3.052700      0.5132000    
 H   -1.425100       4.649600      0.4087000    
 H    5.843900     -0.6218000     -0.4190000    
 H    5.587700      -2.425200       1.908100    
 H    6.222000     -0.7584000       1.958200    
 H    7.077400      -2.016800       1.054100    


%chk=000157473-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157473

0 1
O 1.143937 -2.241185 -0.563492
O 2.663211 2.177389 -0.488047
O -5.179789 -1.502358 0.439317
O -3.697006 -3.203366 0.102392
N 1.887793 -0.026151 -0.559954
N 5.423590 -1.144542 0.203121
N -3.988917 -1.954409 0.228508
C -0.776212 0.884410 -0.071834
C -0.518574 -0.518710 -0.206685
C 0.289593 1.831301 -0.168037
C -2.124000 1.348200 0.165325
C 3.277750 -0.500078 -0.807872
C 0.868738 -1.012467 -0.451937
C 1.687596 1.374438 -0.409823
C -1.561718 -1.445274 -0.108872
C 4.018489 -0.829018 0.509142
C 0.025512 3.203215 -0.032797
C -3.177523 0.390274 0.261001
C -2.879623 -0.968438 0.124474
C -2.361449 2.756331 0.297115
C -1.302676 3.665417 0.198972
C 6.170487 -1.806217 1.289230
H 3.229314 -1.403382 -1.434020
H 3.803727 0.306200 -1.345559
H -1.361721 -2.515543 -0.210632
H 3.894546 0.021228 1.224344
H 3.555994 -1.721573 0.969639
H 0.863708 3.903433 -0.110576
H -4.211681 0.700206 0.439285
H -3.383264 3.109314 0.475718
H -1.489918 4.738789 0.300071
H 5.923625 -0.327754 -0.171537
H 5.709842 -2.787351 1.506540
H 6.205905 -1.230180 2.245945
H 7.209016 -1.991749 0.962635


