%chk=000207798.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207798

0 1
O -2.475773 -0.291958 0.191319
N 3.863636 0.779504 0.125285
N 3.488000 -0.320510 -2.008170
C 3.248310 1.565549 1.223248
C 5.281882 1.110462 -0.183072
C 1.597476 0.077114 -0.599882
C -5.992654 0.750821 -0.484058
C 3.059243 0.185755 -0.894413
C -4.789454 0.009912 0.108467
C 1.114782 -0.912704 0.326149
C -7.308410 0.239857 0.117998
C -0.279642 -1.004164 0.570480
C 2.849839 2.991315 0.798012
C 6.182145 -0.089006 0.169382
C -3.483192 0.521629 -0.493602
C -1.158267 -0.105405 -0.141080
C 0.718627 0.897837 -1.270568
C -8.518853 0.977649 -0.471386
C -0.680517 0.823981 -1.040414
C 1.986734 -1.812945 1.015094
C -0.779158 -1.973907 1.489569
C 2.284334 3.776361 1.976824
C 7.642058 0.203563 -0.158763
C -9.830793 0.472390 0.124308
C 1.482567 -2.740737 1.894199
C 0.083152 -2.823236 2.139567
H 2.356680 1.018052 1.605930
H 3.969412 1.601374 2.070027
H 5.407994 1.389318 -1.252718
H 5.600600 2.003143 0.398209
H -5.895522 1.839197 -0.302778
H -6.011029 0.625441 -1.584605
H -4.876052 -1.082155 -0.066558
H -4.761124 0.125305 1.211197
H -7.409392 -0.848258 -0.060983
H -7.294370 0.361997 1.218385
H 3.721420 3.522806 0.371238
H 2.100290 2.941301 -0.016890
H 6.070908 -0.333613 1.244330
H 5.842052 -0.994538 -0.371144
H -3.289171 1.582519 -0.264800
H -3.406347 0.334914 -1.577850
H -8.421841 2.066212 -0.290925
H -8.536775 0.853733 -1.572051
H 1.085076 1.620867 -2.002056
H -1.332703 1.493684 -1.587965
H 3.058933 -1.753344 0.821311
H -1.857593 -2.019084 1.654656
H 1.991823 4.788322 1.673074
H 3.013967 3.876943 2.788305
H 1.392531 3.292420 2.393837
H 8.280452 -0.650841 0.097462
H 8.020457 1.068971 0.397097
H 7.787965 0.406685 -1.226032
H -10.689513 1.003796 -0.301382
H -9.978212 -0.596205 -0.070073
H -9.863361 0.614680 1.210556
H 2.147042 -3.429734 2.414695
H -0.286877 -3.567433 2.841123
H 4.470712 -0.266899 -2.251513


%chk=000207798-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000207798

0 1
O -2.566995 -0.359911 0.362858
N 3.891221 0.910154 0.130281
N 3.307200 0.273974 -2.154760
C 3.418813 1.646978 1.328409
C 5.333385 1.011626 -0.183819
C 1.560893 0.264749 -0.501926
C -6.142924 0.595436 -0.567213
C 3.000714 0.494555 -0.886295
C -4.964091 -0.106139 0.146118
C 1.152020 -0.684032 0.512226
C -7.520595 0.120482 -0.052772
C -0.259011 -0.873692 0.783564
C 3.287846 3.173183 1.099720
C 6.036092 -0.366704 -0.252185
C -3.610101 0.360411 -0.391719
C -1.228566 -0.115817 0.027866
C 0.578082 0.948287 -1.223939
C -8.706186 0.820425 -0.755194
C -0.812917 0.776557 -0.967730
C 2.090785 -1.483322 1.249294
C -0.672596 -1.819765 1.775698
C 2.859878 3.913235 2.384773
C 7.522058 -0.236535 -0.647807
C -10.079314 0.337072 -0.240648
C 1.662925 -2.406284 2.206458
C 0.270240 -2.573223 2.479202
H 2.442821 1.242405 1.641677
H 4.126269 1.452635 2.159024
H 5.498050 1.560431 -1.138097
H 5.808144 1.622741 0.605174
H -6.061695 1.694155 -0.429386
H -6.080116 0.411678 -1.660360
H -5.042366 -1.202680 0.016351
H -5.007465 0.093844 1.234034
H -7.606976 -0.976922 -0.195152
H -7.586199 0.298345 1.040915
H 4.252822 3.579436 0.735630
H 2.545362 3.345540 0.296276
H 5.947405 -0.857862 0.736223
H 5.507473 -1.014709 -0.976312
H -3.478317 1.453761 -0.250049
H -3.509239 0.128753 -1.472640
H -8.620310 1.916797 -0.609863
H -8.636844 0.645312 -1.848344
H 0.897781 1.621124 -2.025780
H -1.534691 1.344592 -1.560430
H 3.157929 -1.360614 1.038919
H -1.743321 -1.941914 1.961064
H 2.761526 4.999282 2.206993
H 3.600232 3.770316 3.194940
H 1.884629 3.542162 2.751970
H 8.013302 -1.225539 -0.676588
H 8.077654 0.394109 0.072214
H 7.631057 0.221026 -1.649441
H -10.910051 0.851756 -0.757399
H -10.202461 -0.750486 -0.402583
H -10.185683 0.528039 0.843988
H 2.398437 -3.010566 2.749541
H -0.055435 -3.297665 3.233834
H 4.295922 0.497720 -2.391199


