%chk=000180318.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180318

0 1
O 1.496908 -1.405043 -0.030342
N 1.613916 1.771396 -0.711367
C 0.429029 1.188320 -1.444055
C 2.680520 0.711283 -0.604539
C 2.029005 -0.618680 -1.098647
C 0.895153 -0.163028 -2.032981
C -0.689945 1.008628 -0.394975
C 3.168956 0.657994 0.853914
C -2.034494 0.658663 -1.039387
C 2.122673 3.016780 -1.349079
C -3.131427 0.481209 0.019311
C 4.460616 -0.103764 0.968678
C -4.481442 0.137184 -0.624322
C -5.577831 -0.040282 0.434809
C 4.445320 -1.507304 1.009790
C 5.684926 0.577244 1.035570
C -6.928595 -0.383204 -0.207949
C -8.024542 -0.560432 0.851355
C 5.641054 -2.218447 1.121109
C 6.880115 -0.139942 1.147093
C 6.861566 -1.536882 1.190611
C -9.376446 -0.904150 0.210113
C -10.471065 -1.081291 1.260143
H 0.072340 1.865803 -2.253738
H 3.554802 0.934727 -1.267413
H 2.760920 -1.307826 -1.563826
H 1.250768 -0.048179 -3.068830
H 0.083927 -0.910385 -2.067345
H -0.391269 0.224680 0.335718
H -0.779556 1.940136 0.200642
H 3.277778 1.691796 1.242736
H 2.390888 0.196135 1.497931
H -1.939526 -0.267695 -1.639419
H -2.328495 1.451828 -1.754066
H 2.967823 3.403871 -0.755998
H 1.330007 3.782357 -1.315268
H 2.455070 2.903755 -2.391525
H -2.841810 -0.314291 0.732881
H -3.226417 1.405381 0.621845
H 0.777429 -0.900974 0.434480
H -4.387306 -0.787395 -1.226020
H -4.772773 0.932498 -1.337170
H -5.287738 -0.836536 1.147325
H -5.672103 0.883322 1.037932
H 3.488904 -2.035239 0.948484
H 5.707692 1.663849 1.003903
H -7.219259 0.412672 -0.920417
H -6.834783 -1.307356 -0.810273
H -7.735418 -1.355902 1.564797
H -8.119985 0.362714 1.454635
H 5.623477 -3.306347 1.154726
H 7.827458 0.392879 1.201341
H 7.791753 -2.092690 1.279171
H -9.668034 -0.108194 -0.502727
H -9.283001 -1.829364 -0.391588
H -10.615872 -0.169183 1.850146
H -11.431662 -1.326131 0.793479
H -10.231296 -1.889269 1.960698


%chk=000180318-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180318

0 1
O 2.264921 -1.237066 1.511152
N 1.559441 1.298200 0.348668
C 0.411475 0.637379 -0.368650
C 2.791328 0.572560 -0.100672
C 2.306637 -0.888573 0.079051
C 0.883656 -0.845752 -0.533897
C -0.923419 0.790880 0.389345
C 4.060230 0.954102 0.698621
C -2.141725 0.317582 -0.436384
C 1.596113 2.763069 0.196933
C -3.476119 0.425074 0.334922
C 5.286168 0.170959 0.246848
C -4.701258 -0.004158 -0.503502
C -6.032734 0.062704 0.277946
C 5.556850 -1.118339 0.777651
C 6.172921 0.704218 -0.723840
C -7.260696 -0.343256 -0.568139
C -8.589125 -0.304568 0.220661
C 6.685886 -1.851535 0.349527
C 7.302065 -0.028698 -1.157010
C 7.563012 -1.310343 -0.620069
C -9.818700 -0.697135 -0.630148
C -11.139887 -0.668455 0.168657
H 0.295069 1.100611 -1.382264
H 2.989976 0.753621 -1.189636
H 2.968295 -1.635298 -0.382210
H 0.910353 -1.137048 -1.598797
H 0.227868 -1.557069 -0.003115
H -0.862042 0.217155 1.335931
H -1.076367 1.851936 0.673287
H 4.250514 2.036321 0.570843
H 3.859393 0.775523 1.770384
H -1.991023 -0.734483 -0.754884
H -2.207437 0.917892 -1.368426
H 2.389951 3.197425 0.827717
H 0.637915 3.198515 0.528345
H 1.773000 3.081105 -0.861161
H -3.420813 -0.199810 1.250675
H -3.617576 1.470473 0.681188
H 1.812652 -0.464997 1.951354
H -4.546904 -1.039259 -0.874251
H -4.771676 0.640558 -1.404667
H -5.967520 -0.597040 1.168489
H -6.179800 1.092694 0.665532
H 4.870098 -1.538718 1.522516
H 5.982553 1.703603 -1.136297
H -7.337327 0.329273 -1.448260
H -7.105172 -1.365795 -0.972009
H -8.517230 -0.986043 1.094254
H -8.742058 0.714408 0.634415
H 6.883057 -2.843097 0.773221
H 7.978715 0.400701 -1.905032
H 8.440444 -1.878297 -0.949939
H -9.894663 -0.010358 -1.497971
H -9.661283 -1.711657 -1.050353
H -11.334059 0.341441 0.577159
H -12.002876 -0.949015 -0.463089
H -11.102361 -1.372423 1.021477


