%chk=000039932.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039932

0 1
 O   -1.552000       1.121400       1.888700    
 N  -0.2995000      7.3399998E-02  0.2430000    
 N    2.999800      -3.297100     -0.4685000    
 C   0.9976000      0.4966000      0.7262000    
 C    2.039100     -0.6053000      0.4538000    
 C    1.689400      -1.936800       1.132800    
 C    2.767000      -3.006300      0.9410000    
 C    1.365800       1.843300      0.1395000    
 C    2.103600       2.731900      0.9015000    
 C   0.9566000       2.154300      -1.145000    
 C   -1.478000      0.4289000      0.8771000    
 C    4.088400      -4.263800     -0.6226000    
 C    1.779200      -3.802700      -1.099200    
 C    2.443000       3.972300      0.3613000    
 C    1.296200       3.394700      -1.685200    
 C   -2.724200     -0.1076000      0.2719000    
 C    2.039400       4.303700     -0.9321000    
 C   -3.827400     -0.2980000       1.078000    
 C   -2.738700     -0.3976000      -1.076600    
 C   -4.997700     -0.8015000      0.5100000    
 C   -3.909100     -0.9010000      -1.644500    
 C   -5.038500      -1.102900     -0.8512000    
 H   0.9078000      0.6169000       1.814500    
 H    3.021900     -0.2687000      0.8087000    
 H    2.133900     -0.7511000     -0.6298000    
 H    1.591300      -1.756600       2.211600    
 H   0.7089000      -2.302700      0.8110000    
 H    3.694900      -2.640500       1.399100    
 H    2.476800      -3.910700       1.491900    
 H  -0.3091000     -0.5268000     -0.5745000    
 H    2.424500       2.481800       1.908400    
 H   0.3941000       1.460600      -1.762300    
 H    3.857800      -5.225300     -0.1496000    
 H    5.013600      -3.875100     -0.1825000    
 H    4.298500      -4.441800      -1.683200    
 H    1.012300      -3.027400      -1.190400    
 H    1.357500      -4.661100     -0.5636000    
 H    1.987100      -4.120900      -2.128000    
 H    3.022400       4.679700      0.9472000    
 H   0.9858000       3.651400      -2.693900    
 H    2.304800       5.268900      -1.353300    
 H   -3.810600     -7.3200002E-02   2.140200    
 H   -1.897200     -0.2204000      -1.737600    
 H   -5.877000     -0.9595000       1.127500    
 H   -3.944400      -1.127700      -2.706200    
 H   -5.950200      -1.493000      -1.293800    


%chk=000039932-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000039932

0 1
O -1.317403 1.041395 1.344142
N 0.346654 -0.199248 0.278522
N 1.234744 -2.861381 -0.200732
C 1.412361 0.557377 0.965023
C 2.756861 -0.217571 0.870758
C 2.754215 -1.655423 1.462041
C 2.596905 -2.782618 0.414249
C 1.585918 1.971950 0.396591
C 1.754358 3.074659 1.267122
C 1.642233 2.190337 -1.002210
C -0.975213 0.128498 0.519757
C 1.268173 -3.548951 -1.517728
C 0.258688 -3.515597 0.713514
C 1.986313 4.370764 0.754254
C 1.869799 3.484103 -1.520095
C -2.012619 -0.657629 -0.246447
C 2.047903 4.579706 -0.642746
C -3.317730 -0.746463 0.301031
C -1.745486 -1.261903 -1.502311
C -4.332185 -1.451882 -0.379489
C -2.764191 -1.960088 -2.189317
C -4.057887 -2.064213 -1.626321
H 1.134524 0.661578 2.034976
H 3.510012 0.397696 1.396858
H 3.077897 -0.249958 -0.190278
H 3.719481 -1.834800 1.974938
H 1.975030 -1.743884 2.244327
H 3.323396 -2.604476 -0.401836
H 2.862846 -3.764228 0.876335
H 0.610405 -1.141094 -0.122415
H 1.680263 2.920397 2.350771
H 1.482537 1.345789 -1.683606
H 1.640939 -4.597670 -1.443562
H 1.924954 -2.995615 -2.211724
H 0.250472 -3.575948 -1.944245
H 0.202373 -2.960802 1.664796
H 0.538798 -4.571389 0.935949
H -0.744246 -3.500316 0.254879
H 2.104867 5.217040 1.440672
H 1.903258 3.641681 -2.604554
H 2.220577 5.585156 -1.043381
H -3.511420 -0.240563 1.252759
H -0.753745 -1.156006 -1.956215
H -5.336189 -1.519305 0.054353
H -2.556060 -2.407760 -3.168083
H -4.847979 -2.604645 -2.160023


