%chk=000288414.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000288414

0 1
O -0.963650 2.923016 -0.591128
N 0.172023 2.162344 -0.390845
C 1.216739 0.018176 -0.045358
C -1.175508 -0.019234 -0.043098
C 0.781902 -1.315676 -0.084972
C -0.690641 -1.338916 -0.102896
C 0.000910 0.902376 -0.133640
C 2.598984 0.329218 0.036215
C -2.569354 0.220094 0.082009
C 3.515644 -0.766565 0.050992
C -3.440839 -0.911277 0.010560
C 1.692792 -2.391572 -0.073501
C -1.552955 -2.452083 -0.151548
C 3.040674 -2.111306 -0.010450
C -2.912467 -2.230209 -0.117712
C 3.120798 1.662593 0.114384
C -3.153235 1.508078 0.316371
C 4.922857 -0.498231 0.130465
C -4.859725 -0.711683 0.090063
C 4.470493 1.883735 0.191640
C -4.511163 1.664911 0.402842
C 5.386613 0.788569 0.197544
C -5.381440 0.540798 0.272999
H 1.325621 -3.414699 -0.113523
H -1.141310 -3.456597 -0.219019
H 3.769949 -2.921644 -0.003406
H -3.607830 -3.068023 -0.175090
H 2.422008 2.501715 0.111565
H -2.494246 2.370062 0.448817
H 5.611877 -1.341714 0.136916
H -5.510445 -1.581135 0.005513
H 4.867758 2.896058 0.250590
H -4.949450 2.646469 0.577873
H 6.453176 0.999351 0.257633
H -6.456703 0.700579 0.331072
H -0.579455 3.842119 -0.804475


%chk=000288414-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000288414

0 1
O -0.884551 3.111595 0.068500
N 0.275436 2.242677 0.051454
C 1.234292 0.050351 0.018651
C -1.196258 0.041644 0.032148
C 0.778792 -1.284584 0.002542
C -0.691920 -1.290446 0.010486
C 0.021778 0.939678 0.037009
C 2.641302 0.348167 0.015714
C -2.628246 0.257636 0.044590
C 3.557532 -0.786365 -0.004191
C -3.484406 -0.930002 0.033321
C 1.677915 -2.384969 -0.017080
C -1.535769 -2.430376 -0.000644
C 3.050208 -2.129189 -0.020249
C -2.916607 -2.244995 0.010630
C 3.204261 1.669397 0.031066
C -3.291132 1.532605 0.067968
C 4.972066 -0.549730 -0.007472
C -4.911374 -0.787003 0.045371
C 4.588124 1.862272 0.027491
C -4.684355 1.634894 0.079296
C 5.484596 0.747913 0.008076
C -5.511647 0.470558 0.067905
H 1.302571 -3.413507 -0.029492
H -1.105078 -3.436659 -0.017639
H 3.767891 -2.958028 -0.035231
H -3.594173 -3.106935 0.002621
H 2.521037 2.519885 0.045646
H -2.682708 2.435286 0.076914
H 5.648045 -1.413173 -0.022383
H -5.524782 -1.695925 0.036655
H 4.994134 2.880170 0.039768
H -5.149523 2.627164 0.097267
H 6.566900 0.917177 0.005503
H -6.602461 0.569335 0.076927
H -0.471489 4.013179 0.076262


