%chk=000196234.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196234

0 1
O -1.352205 0.817109 -0.775220
N -0.572839 -0.309351 -0.492431
N -4.903812 0.020211 0.025754
C 2.946773 0.432033 1.491397
C 3.472133 0.199391 -0.969173
C 1.621660 -1.177018 0.063253
C 1.342377 1.337423 -0.234180
C 4.073198 0.431531 0.434603
C 2.216192 -0.929269 1.467082
C 2.742789 -1.162421 -0.999083
C 1.940107 1.559807 1.171783
C 2.466289 1.326783 -1.292581
C 0.669526 -0.027258 -0.249658
C -2.728730 0.395044 -1.031526
C -3.436057 0.129520 0.305146
C -5.702548 0.445651 1.213655
C -5.268109 -1.373313 -0.369778
H 3.383357 0.599925 2.500730
H 4.286104 0.200134 -1.727484
H 1.089628 -2.155661 0.041940
H 0.603707 2.138532 -0.467782
H 4.620247 1.389904 0.460750
H 4.813596 -0.353372 0.666854
H 2.913095 -1.744028 1.729517
H 1.414414 -0.948929 2.226687
H 2.316589 -1.348274 -2.001353
H 3.454321 -1.983990 -0.806765
H 1.134178 1.582446 1.926833
H 2.437284 2.544153 1.218994
H 2.977060 2.305041 -1.310887
H 2.036208 1.182218 -2.299944
H -3.121755 1.290979 -1.547507
H -2.747940 -0.473722 -1.706701
H -2.999332 -0.767213 0.793922
H -3.233999 0.979797 0.991592
H -6.774176 0.386716 0.963893
H -5.528412 -0.143053 2.125689
H -5.481663 1.502969 1.432109
H -4.679132 -1.664413 -1.254137
H -5.111548 -2.132703 0.410121
H -6.329072 -1.392827 -0.665714


%chk=000196234-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000196234

0 1
O -1.363195 0.937148 -0.839664
N -0.593098 -0.295568 -0.527161
N -4.923006 -0.023682 0.069351
C 2.950476 0.391989 1.501316
C 3.492402 0.169710 -0.971824
C 1.591240 -1.186244 0.040736
C 1.347587 1.338435 -0.240970
C 4.090957 0.384834 0.445942
C 2.198342 -0.966405 1.460443
C 2.740331 -1.188861 -1.014454
C 1.957412 1.543093 1.181146
C 2.498727 1.320296 -1.294263
C 0.663217 -0.019508 -0.268963
C -2.767982 0.543233 -1.057502
C -3.498344 0.326815 0.281471
C -5.789749 0.369841 1.197712
C -5.122278 -1.438621 -0.305985
H 3.379209 0.546194 2.511277
H 4.306465 0.164643 -1.723269
H 1.022372 -2.132446 0.000394
H 0.622025 2.135186 -0.472364
H 4.646129 1.343768 0.481610
H 4.816057 -0.421191 0.677391
H 2.894212 -1.797141 1.693729
H 1.393809 -0.983707 2.221324
H 2.322719 -1.365987 -2.024564
H 3.438234 -2.020826 -0.792389
H 1.149025 1.576528 1.937260
H 2.480880 2.519676 1.213359
H 3.023690 2.296349 -1.274613
H 2.077793 1.191548 -2.310221
H -3.217461 1.389414 -1.604664
H -2.794211 -0.361453 -1.691949
H -2.947254 -0.446199 0.871215
H -3.449677 1.271892 0.853364
H -6.846718 0.177512 0.936819
H -5.566899 -0.180770 2.147505
H -5.679523 1.450992 1.394616
H -4.513796 -1.692070 -1.190623
H -4.847638 -2.150623 0.513987
H -6.182978 -1.607290 -0.566125


