%chk=000212094.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212094

0 1
O 2.080742 2.282780 -1.556923
O 3.755675 -0.658803 1.554968
N -4.310156 -0.057167 -0.378165
N 1.024187 0.247355 -1.351583
N 2.935373 0.828609 0.029535
C -5.651240 0.086056 1.690450
C -4.278762 -0.513842 2.047305
C -5.706662 0.120601 0.147022
C -3.584770 -0.810474 0.699500
C -3.670886 1.273000 -0.673773
C 0.910565 -1.009812 -0.716598
C -2.368824 1.073665 -1.268798
C 1.857014 -1.359525 0.273553
C 0.012820 0.696535 -2.365447
C 2.017171 1.212480 -0.981098
C 2.917057 -0.438663 0.704558
C -1.285385 0.900119 -1.771048
C 3.941001 1.854774 0.458203
C -0.106533 -1.932938 -1.065607
C 1.790172 -2.630788 0.884663
C -0.148800 -3.173970 -0.448241
C 0.800471 -3.532929 0.528031
C 3.455003 2.596928 1.674074
C 3.378666 3.923664 1.730425
H -6.475195 -0.518340 2.102806
H -5.764482 1.096386 2.116233
H -3.684312 0.189590 2.653400
H -4.382504 -1.430371 2.649901
H -6.295316 -0.737555 -0.244885
H -6.187690 1.037445 -0.235221
H -2.505273 -0.573704 0.721674
H -3.671550 -1.887214 0.439437
H -4.330215 1.812474 -1.401763
H -3.580547 1.929680 0.227239
H -0.031381 -0.065128 -3.184658
H 0.381079 1.655752 -2.831718
H 4.896283 1.323985 0.698335
H 4.141312 2.538904 -0.400970
H -0.863242 -1.672377 -1.805719
H 2.537779 -2.882289 1.645232
H -0.931128 -3.885819 -0.721182
H 0.751235 -4.513389 0.996814
H 3.185971 1.957454 2.518132
H 3.053386 4.459150 2.611665
H 3.627488 4.578811 0.906342


%chk=000212094-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000212094

0 1
O 2.059392 2.407969 -1.424874
O 4.004237 -0.712331 1.467181
N -4.480079 -0.171903 -0.368113
N 1.054706 0.299354 -1.244804
N 3.018414 0.839301 0.027353
C -5.820701 0.367885 1.611776
C -4.491085 -0.299986 2.097165
C -5.891652 0.003257 0.090630
C -3.834770 -0.871169 0.786148
C -3.836247 1.141340 -0.690261
C 1.027388 -1.005406 -0.706548
C -2.474364 0.989560 -1.230460
C 2.042557 -1.398369 0.214353
C 0.026955 0.739702 -2.231138
C 2.042721 1.253520 -0.909680
C 3.089793 -0.445325 0.631939
C -1.325884 0.884165 -1.666721
C 4.042570 1.851749 0.436378
C 0.018039 -1.941147 -1.065949
C 2.049715 -2.710020 0.750168
C 0.044198 -3.239953 -0.524808
C 1.059940 -3.636408 0.382967
C 3.646237 2.566953 1.714798
C 3.383434 3.894688 1.782106
H -6.703415 -0.001125 2.162195
H -5.781113 1.463920 1.747102
H -3.832140 0.435186 2.591397
H -4.682248 -1.108805 2.823940
H -6.412881 -0.964156 -0.038757
H -6.416423 0.754929 -0.523789
H -2.740024 -0.743948 0.749909
H -4.052058 -1.951853 0.696290
H -4.466669 1.639003 -1.452106
H -3.787219 1.835151 0.186485
H 0.017757 0.023289 -3.074600
H 0.382563 1.712668 -2.614352
H 4.984164 1.295686 0.586733
H 4.147653 2.564272 -0.395413
H -0.792954 -1.657493 -1.740092
H 2.849710 -2.963437 1.453253
H -0.739945 -3.949297 -0.811308
H 1.067737 -4.650125 0.794887
H 3.598901 1.939673 2.615484
H 3.120402 4.378890 2.729519
H 3.418287 4.531248 0.889717


