%chk=000203296.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203296

0 1
S 0.066657 -0.455672 2.080415
N 0.847267 1.291303 0.221021
N -1.314565 0.359119 -0.170153
N 2.449258 -3.364767 0.516095
C 0.731018 2.242224 -0.931164
C 2.153079 2.707166 -1.311481
C -0.189793 3.442589 -0.625379
C 2.750378 3.701266 -0.307617
C 0.421151 4.416773 0.386914
C -2.388383 -0.628961 0.061134
C 1.810745 4.888989 -0.061283
C -3.368168 -0.151786 1.159112
C -3.123817 -0.845947 -1.282825
C -4.195454 1.061597 0.718844
C -3.958635 0.372429 -1.696854
C -4.942638 0.779323 -0.591876
C -0.256758 0.476076 0.540049
C 1.561731 -1.420214 1.695641
C 1.200337 -2.567239 0.752146
C 3.264493 -2.786307 -0.602374
C 2.165217 -4.818062 0.340282
C 4.709404 -3.279042 -0.507854
C 1.290028 -5.198745 -0.857455
H 0.292262 1.667774 -1.792143
H 2.108038 3.174246 -2.314538
H 2.819204 1.828413 -1.412666
H -1.170302 3.074576 -0.261402
H -0.405825 3.973360 -1.572291
H 2.968564 3.189283 0.648986
H 3.726126 4.065295 -0.681981
H -0.248728 5.287975 0.516805
H 0.486809 3.938317 1.382568
H -1.954480 -1.615769 0.384749
H 2.245263 5.562291 0.700708
H 1.719692 5.491324 -0.985665
H -4.042269 -0.991546 1.415248
H -2.814044 0.087118 2.086416
H -2.386961 -1.075804 -2.075892
H -3.774682 -1.735011 -1.188013
H -4.910846 1.338101 1.514434
H -3.524887 1.933508 0.582699
H -3.276374 1.219205 -1.916187
H -4.503033 0.156231 -2.633361
H -5.510866 1.674890 -0.903109
H -5.689854 -0.021182 -0.436346
H 1.314907 1.711868 1.032762
H 1.955125 -1.803581 2.659434
H 2.349307 -0.770633 1.269270
H 0.750762 -2.178698 -0.188100
H 0.427069 -3.214579 1.223123
H 2.845631 -3.022016 -1.604898
H 3.249868 -1.676893 -0.506706
H 3.146270 -5.340093 0.269026
H 1.694130 -5.177862 1.282710
H 4.796990 -4.341976 -0.757967
H 5.100397 -3.154585 0.511062
H 5.359482 -2.719846 -1.188078
H 1.157967 -6.284522 -0.916421
H 1.735796 -4.872816 -1.804175
H 0.292336 -4.751973 -0.795199


%chk=000203296-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000203296

0 1
S -0.003392 -0.501444 2.466519
N 0.728446 1.297822 0.517026
N -1.420171 0.406814 0.136256
N 2.395709 -3.220799 0.348660
C 0.758863 2.105226 -0.725937
C 2.226926 2.430603 -1.098349
C -0.081014 3.408413 -0.601077
C 2.874073 3.460383 -0.137187
C 0.563297 4.428314 0.366410
C -2.512456 -0.553107 0.389776
C 2.022216 4.749715 -0.041922
C -3.656931 0.127683 1.194155
C -3.052358 -1.064786 -0.971928
C -4.348269 1.254116 0.390896
C -3.730939 0.065026 -1.781386
C -4.869542 0.730172 -0.969803
C -0.343207 0.483165 0.848868
C 1.519783 -1.497765 1.900364
C 1.161655 -2.578565 0.861589
C 2.993122 -2.494907 -0.799896
C 2.319925 -4.695672 0.211661
C 4.471017 -2.851839 -1.045972
C 1.381201 -5.232578 -0.904433
H 0.300935 1.472374 -1.508805
H 2.230868 2.853996 -2.122574
H 2.819612 1.495304 -1.131070
H -1.103376 3.139910 -0.278637
H -0.164555 3.861325 -1.610851
H 2.990213 3.023861 0.878106
H 3.897860 3.699144 -0.484043
H -0.040189 5.355857 0.391885
H 0.551190 4.017279 1.397049
H -2.135707 -1.412715 0.988531
H 2.477969 5.456852 0.677906
H 2.019915 5.253924 -1.030821
H -4.403593 -0.653290 1.448154
H -3.252682 0.516871 2.148352
H -2.221099 -1.509958 -1.552118
H -3.786477 -1.872775 -0.772132
H -5.180298 1.682853 0.983285
H -3.618556 2.068068 0.211397
H -2.965984 0.827601 -2.025198
H -4.121774 -0.333892 -2.737965
H -5.320010 1.558640 -1.551037
H -5.675787 -0.012883 -0.791463
H 1.408152 1.496074 1.251697
H 1.926485 -1.951996 2.819029
H 2.263850 -0.791497 1.497311
H 0.550888 -2.120947 0.048226
H 0.524383 -3.341030 1.345933
H 2.409841 -2.650732 -1.742287
H 2.923355 -1.412985 -0.575084
H 3.342787 -5.082469 0.046592
H 1.992405 -5.100928 1.188255
H 4.597180 -3.900732 -1.369872
H 5.057438 -2.704005 -0.121882
H 4.892266 -2.207493 -1.839683
H 1.379149 -6.338675 -0.902240
H 1.706078 -4.899082 -1.906927
H 0.340711 -4.891337 -0.751108


