%chk=000216303.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216303

0 1
O 4.038686 1.135503 -0.026746
N -2.850676 1.042893 0.581681
N 1.930423 0.926459 0.820405
C -0.805499 1.382021 -0.381019
C 0.439309 2.025321 -0.870481
C -1.109988 -0.028715 -0.453514
C -2.396556 -0.214094 0.157818
C 1.473728 2.217584 0.256105
C -1.874100 2.006513 0.246146
C -0.434742 -1.146943 -0.978245
C -2.997853 -1.486691 0.260332
C -1.027263 -2.392880 -0.875018
C -2.297337 -2.559230 -0.259526
C 3.217406 0.448320 0.560262
C 3.538428 -0.922816 1.131705
C 2.814703 -2.036153 0.387449
H 0.213334 3.012633 -1.325363
H 0.886759 1.423691 -1.690927
H 2.358017 2.779315 -0.134064
H 1.036076 2.820925 1.082395
H -2.012706 3.047539 0.475623
H -3.722860 1.233084 1.032406
H 0.532430 -1.015483 -1.460331
H 1.195847 0.307389 1.154261
H -3.969580 -1.608806 0.725884
H -0.526026 -3.271743 -1.275088
H -2.720587 -3.561889 -0.205255
H 4.639631 -1.069089 1.058775
H 3.306028 -0.955560 2.214805
H 3.017362 -1.995967 -0.691111
H 3.145346 -3.021260 0.741013
H 1.726962 -1.990972 0.524826


%chk=000216303-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216303

0 1
O 4.043066 0.902386 -0.033261
N -3.070490 1.248565 0.544190
N 1.820492 0.749058 0.651474
C -0.983827 1.467172 -0.379115
C 0.310368 2.072857 -0.872081
C -1.336574 0.053528 -0.341018
C -2.649938 -0.051575 0.244712
C 1.439966 2.093918 0.198393
C -2.068921 2.156494 0.165603
C -0.678146 -1.135912 -0.761325
C -3.302400 -1.291305 0.427792
C -1.324925 -2.374178 -0.583246
C -2.621468 -2.451859 0.008538
C 3.100565 0.236831 0.498821
C 3.305443 -1.184603 1.042485
C 4.169830 -2.040641 0.091314
H 0.138758 3.118324 -1.193143
H 0.679578 1.522092 -1.757940
H 2.355196 2.550360 -0.217802
H 1.108695 2.700798 1.064250
H -2.203550 3.228215 0.303624
H -3.967157 1.498670 0.954629
H 0.311938 -1.088035 -1.228870
H 1.091271 0.152043 1.047847
H -4.300702 -1.355949 0.875179
H -0.830762 -3.296701 -0.907624
H -3.097280 -3.430801 0.134028
H 3.823793 -1.090058 2.017424
H 2.333110 -1.675955 1.240924
H 5.101078 -1.501250 -0.150232
H 4.426939 -3.008605 0.557162
H 3.640758 -2.242986 -0.857527


