%chk=000213327.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213327

0 1
O -1.314998 -2.792584 0.609081
O -6.284563 1.084120 -0.052593
N 2.373086 -0.901664 -0.105463
N 5.148680 -0.075833 0.033094
C 3.474763 -1.801000 -0.581838
C 2.876664 -0.055092 1.025103
C 4.654417 -0.942889 -1.081776
C 4.052099 0.812003 0.531145
C 1.169944 -1.696153 0.302986
C 6.446989 0.492241 -0.100012
C -0.076989 -0.811866 0.134176
C -1.347656 -1.603990 0.348653
C 6.825372 1.612351 0.678004
C 7.422265 -0.126592 -0.918059
C -2.642030 -0.881238 0.238728
C 8.136143 2.082849 0.638211
C 8.727358 0.360087 -0.942999
C 9.095288 1.466739 -0.171409
C -3.814795 -1.596860 0.538793
C -2.740708 0.468087 -0.153964
C -5.138978 0.351435 0.071043
C -5.069953 -0.994525 0.461801
C -3.975429 1.092993 -0.240878
C -8.571172 1.555871 -0.015387
C -7.567358 0.434412 0.236106
C -10.005475 1.076194 0.235925
C -11.016366 2.192118 -0.013483
H 3.828850 -2.505201 0.202920
H 3.087792 -2.410773 -1.426925
H 2.051668 0.607889 1.361848
H 3.198171 -0.655725 1.904828
H 5.475283 -1.615200 -1.420539
H 4.336299 -0.335220 -1.958630
H 3.702378 1.509808 -0.262444
H 4.430469 1.429547 1.377224
H 1.066503 -2.591720 -0.351718
H 1.222472 -2.087268 1.341909
H -0.039147 0.047376 0.832585
H -0.069155 -0.364573 -0.884282
H 6.099970 2.102689 1.323542
H 7.163057 -0.995107 -1.519816
H 8.414497 2.943588 1.246067
H 9.469076 -0.129105 -1.574233
H 10.113333 1.841497 -0.199146
H -3.729250 -2.648618 0.837635
H -1.841654 1.037211 -0.398099
H -5.959687 -1.566676 0.699645
H -4.073204 2.133259 -0.542942
H -8.460508 1.930784 -1.053550
H -8.330585 2.424904 0.630685
H -7.690090 -0.417053 -0.453589
H -7.556607 0.091953 1.284084
H -10.106085 0.708489 1.276620
H -10.236700 0.211534 -0.417773
H -10.972280 2.556350 -1.046765
H -12.040785 1.845853 0.167282
H -10.841682 3.052490 0.643391


%chk=000213327-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213327

0 1
O -1.333923 -2.834850 0.499149
O -6.330179 1.239172 -0.002227
N 2.443405 -0.974696 -0.131935
N 5.198400 -0.050713 -0.022480
C 3.577844 -1.910038 -0.325719
C 2.853041 0.089962 0.815501
C 4.812159 -1.181984 -0.887592
C 4.065750 0.859086 0.266644
C 1.205228 -1.684674 0.278721
C 6.516728 0.467410 -0.098849
C -0.042974 -0.799724 0.122061
C -1.350123 -1.580998 0.297247
C 6.952301 1.501937 0.787156
C 7.472601 -0.046186 -1.029055
C -2.643722 -0.833900 0.218669
C 8.273548 1.986953 0.744684
C 8.796625 0.441690 -1.054660
C 9.214735 1.462667 -0.173235
C -3.856545 -1.546770 0.416100
C -2.717405 0.564001 -0.050054
C -5.156363 0.491441 0.085157
C -5.105257 -0.903698 0.353916
C -3.954854 1.220903 -0.117441
C -8.721809 1.600639 0.037963
C -7.624065 0.546949 0.192033
C -10.135045 0.997771 0.217306
C -11.246843 2.057694 0.063592
H 3.863278 -2.409384 0.635555
H 3.272077 -2.696238 -1.040430
H 2.020829 0.803882 0.950687
H 3.109379 -0.337290 1.819367
H 5.643788 -1.906298 -0.928910
H 4.593276 -0.841260 -1.926551
H 3.756453 1.391007 -0.662524
H 4.370342 1.617076 1.004259
H 1.086050 -2.572054 -0.367767
H 1.266546 -2.068092 1.327079
H -0.035689 0.040041 0.844844
H -0.023367 -0.338032 -0.886113
H 6.267210 1.912554 1.535580
H 7.185425 -0.812789 -1.754084
H 8.573071 2.775396 1.445387
H 9.501918 0.024721 -1.783503
H 10.241699 1.841258 -0.199929
H -3.789778 -2.620962 0.619631
H -1.803719 1.144320 -0.213580
H -6.020187 -1.481530 0.511767
H -4.024656 2.292675 -0.325678
H -8.634980 2.066561 -0.962213
H -8.557336 2.403084 0.782278
H -7.729290 -0.255177 -0.567527
H -7.648047 0.088657 1.202378
H -10.212609 0.524161 1.217239
H -10.290573 0.189234 -0.525795
H -11.212792 2.525365 -0.938050
H -12.248969 1.610995 0.194800
H -11.133613 2.862267 0.813953


