%chk=000217887.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217887

0 1
S 0.004657 -1.437950 1.644954
N 0.624823 0.996648 -0.454731
N 1.907954 3.543624 0.128555
C -0.261303 0.070979 -1.243302
C 1.733971 1.532392 -1.315061
C -0.149211 2.149519 0.117829
C 0.481308 -1.231957 -1.642124
C 2.676937 2.392176 -0.449897
C 0.791270 3.014671 0.980200
C -1.498633 -0.313395 -0.453935
C 1.576931 -1.664655 -0.714239
C -1.438450 -1.040798 0.735624
C -2.756683 0.030045 -0.979145
C 2.810246 4.416341 0.938373
C 1.427905 -1.766285 0.670708
C -3.935417 -0.347655 -0.326884
C -2.615379 -1.435788 1.392304
C 2.823528 -2.005579 -1.280931
C -3.857031 -1.086701 0.866499
C -5.276309 0.037790 -0.892592
C 2.498043 -2.183259 1.482689
C 3.884132 -2.427093 -0.482985
C 3.722470 -2.513204 0.906196
C -5.737682 1.384829 -0.337044
H -0.591488 0.563223 -2.202342
H 1.360639 2.133692 -2.172400
H 2.310268 0.677427 -1.728034
H -0.958099 1.749558 0.767770
H -0.627440 2.777026 -0.664687
H 0.881087 -1.103993 -2.669646
H -0.259122 -2.059663 -1.729912
H 3.151068 1.752862 0.327487
H 3.489083 2.800143 -1.087159
H 0.223668 3.878215 1.385804
H 1.152734 2.416178 1.845748
H -2.815711 0.603142 -1.903203
H 2.231725 5.273815 1.317467
H 3.596468 4.823546 0.283009
H 3.293884 3.920361 1.792750
H -2.566278 -2.018483 2.315155
H 2.958923 -1.939163 -2.358985
H -4.767771 -1.388084 1.380558
H -5.232228 0.082200 -2.000246
H -6.031016 -0.742697 -0.663059
H 2.379927 -2.253255 2.566107
H 4.838149 -2.688549 -0.936032
H 4.550390 -2.837946 1.532748
H -5.826349 1.358122 0.755953
H -6.714844 1.668226 -0.743167
H -5.029142 2.184504 -0.584746


%chk=000217887-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217887

0 1
S 0.069751 -1.401268 1.786344
N 0.619059 1.083897 -0.440996
N 1.930998 3.618254 0.133138
C -0.240983 0.123304 -1.185231
C 1.768749 1.562711 -1.251103
C -0.135869 2.246438 0.095636
C 0.554493 -1.146229 -1.640928
C 2.685205 2.463884 -0.408128
C 0.784468 3.139235 0.941388
C -1.487220 -0.284956 -0.403577
C 1.623652 -1.687781 -0.700406
C -1.438388 -1.013022 0.813236
C -2.760741 0.001475 -0.955271
C 2.793246 4.555356 0.876485
C 1.488193 -1.854981 0.703754
C -3.974583 -0.375193 -0.331712
C -2.640761 -1.409762 1.450923
C 2.853515 -2.097904 -1.288325
C -3.892904 -1.087312 0.891057
C -5.320649 0.007799 -0.928784
C 2.552689 -2.404680 1.468587
C 3.911867 -2.648131 -0.538536
C 3.758419 -2.799175 0.858259
C -5.871604 1.334755 -0.339259
H -0.615134 0.601325 -2.131054
H 1.417278 2.136396 -2.147449
H 2.358129 0.697814 -1.599179
H -0.962816 1.877298 0.725948
H -0.574815 2.861804 -0.731036
H 1.042595 -0.929183 -2.608961
H -0.195245 -1.933418 -1.853543
H 3.133580 1.844659 0.410354
H 3.509056 2.842476 -1.042653
H 0.213316 4.015933 1.301349
H 1.125760 2.555171 1.833875
H -2.798931 0.550018 -1.906113
H 2.196685 5.422910 1.212424
H 3.595588 4.928203 0.214110
H 3.275003 4.097412 1.778267
H -2.588177 -1.987261 2.380437
H 2.970094 -1.977758 -2.373211
H -4.810581 -1.409225 1.398396
H -5.230483 0.111978 -2.026877
H -6.056426 -0.798565 -0.743808
H 2.427392 -2.528794 2.550690
H 4.839802 -2.952615 -1.034119
H 4.563536 -3.222800 1.468329
H -6.001481 1.255757 0.755354
H -6.851097 1.587531 -0.785193
H -5.176627 2.171325 -0.534892


