%chk=000208099.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208099

0 1
O -0.248754 -0.355106 -0.514379
N -4.133993 -1.113116 -0.674455
C -3.729494 -0.988382 0.772377
C -3.837870 0.273177 -1.186654
C -4.231783 0.414189 1.233222
C -4.303556 1.248716 -0.062896
C -2.187997 -1.064295 0.781159
C -2.307750 0.328145 -1.378981
C -1.564506 0.068426 -0.056349
C -5.556834 -1.512692 -0.853214
C 0.821154 -0.221822 0.453672
C 1.931744 -1.106960 -0.073247
C 1.274247 1.225628 0.537797
C 2.813189 -1.776136 0.799342
C 2.077135 -1.255489 -1.459766
C 1.935762 1.683340 1.685571
C 1.044644 2.104374 -0.529063
C 3.831399 -2.578266 0.259179
C 2.686446 -1.658290 2.285447
C 3.090228 -2.059387 -1.986313
C 2.353190 3.014111 1.769194
C 1.461475 3.435072 -0.442328
C 3.969703 -2.719136 -1.123362
C 2.113672 3.892706 0.707393
H -4.158533 -1.805317 1.387669
H -4.352848 0.471967 -2.148677
H -3.558322 0.865632 1.975798
H -5.218278 0.336483 1.714621
H -5.327109 1.604517 -0.254356
H -3.667788 2.144517 -0.010966
H -1.808422 -1.045401 1.814510
H -1.869686 -2.035925 0.344193
H -2.000477 -0.450029 -2.112270
H -2.000793 1.295921 -1.808028
H -1.458340 0.999114 0.538520
H -6.293869 -0.846107 -0.382991
H -5.692959 -2.526967 -0.444253
H -5.775279 -1.568168 -1.932009
H 0.445127 -0.580824 1.439225
H 1.376553 -0.742541 -2.123251
H 2.141338 0.993235 2.507625
H 0.539665 1.733710 -1.423189
H 4.519341 -3.097318 0.923121
H 3.519148 -2.137801 2.816718
H 2.669513 -0.602987 2.608743
H 1.763155 -2.135831 2.642866
H 3.192664 -2.170620 -3.063110
H 2.867944 3.366516 2.660900
H 1.281823 4.115073 -1.272964
H 4.763204 -3.344819 -1.527840
H 2.438278 4.928862 0.773946


%chk=000208099-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208099

0 1
O -0.228402 -0.674261 -0.716122
N -4.353263 -1.001651 -0.369862
C -3.716459 -0.610261 0.929253
C -3.891811 0.109020 -1.266454
C -3.974872 0.939030 1.060307
C -4.094442 1.424822 -0.424411
C -2.204410 -0.941042 0.827652
C -2.400067 -0.146239 -1.593764
C -1.542727 -0.126268 -0.312758
C -5.826479 -1.138474 -0.294967
C 0.851024 -0.565113 0.290455
C 2.074349 -1.272637 -0.295880
C 1.123259 0.904364 0.646635
C 3.155960 -1.663138 0.551070
C 2.143510 -1.530448 -1.686191
C 0.777544 1.412263 1.922502
C 1.687313 1.784096 -0.312154
C 4.280982 -2.295887 -0.034570
C 3.128702 -1.420535 2.051135
C 3.272970 -2.161103 -2.252613
C 0.990933 2.773184 2.242354
C 1.898293 3.143735 0.001201
C 4.350023 -2.544314 -1.423715
C 1.551788 3.643291 1.280269
H -4.167846 -1.184141 1.757844
H -4.482758 0.109625 -2.199086
H -3.158354 1.446169 1.605107
H -4.909520 1.130287 1.617278
H -5.088728 1.864260 -0.620125
H -3.340020 2.190286 -0.678952
H -1.713993 -0.729350 1.798106
H -2.094845 -2.018617 0.606513
H -2.307331 -1.141116 -2.064981
H -2.019609 0.610235 -2.305455
H -1.398874 0.922437 0.022474
H -6.366584 -0.226045 0.056555
H -6.077739 -1.967402 0.390706
H -6.215314 -1.399394 -1.295432
H 0.537486 -1.092181 1.217936
H 1.289316 -1.248421 -2.307243
H 0.343209 0.737489 2.672290
H 1.961840 1.393709 -1.298387
H 5.112991 -2.599813 0.612567
H 4.036146 -1.824374 2.531366
H 3.070000 -0.341760 2.287766
H 2.253687 -1.902928 2.529754
H 3.307591 -2.355922 -3.330513
H 0.722164 3.151768 3.235107
H 2.337507 3.814534 -0.746058
H 5.231598 -3.036469 -1.850203
H 1.720764 4.698399 1.523587


