%chk=000218539.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218539

0 1
O -0.647831 1.322429 -0.750853
N 0.460013 -0.653922 -1.231500
N -1.781450 -0.690358 -0.432916
C 2.543075 0.163677 -0.034080
C 2.857367 -1.215014 0.578052
C 3.816511 0.999380 -0.273221
C 1.755402 0.063494 -1.362314
C 3.642636 -2.154119 -0.346618
C 4.468342 1.452582 1.040703
C 3.961809 -3.481573 0.337290
C 5.722984 2.285485 0.788726
C -0.653324 0.104307 -0.779283
C -3.062749 -0.173050 -0.058499
C -4.101679 -1.111406 0.123738
C -3.296864 1.196722 0.152585
C -5.362401 -0.665029 0.521435
C -4.566252 1.618042 0.548762
C -5.601475 0.695776 0.735974
H 1.896968 0.715839 0.698109
H 1.917565 -1.702548 0.898181
H 3.433587 -1.061199 1.514476
H 4.544696 0.419657 -0.872520
H 3.568746 1.892390 -0.881114
H 1.552154 1.090039 -1.755234
H 2.346785 -0.469065 -2.139374
H 3.073677 -2.341734 -1.277487
H 4.584348 -1.661259 -0.663639
H 4.723967 0.568948 1.659051
H 3.742956 2.041192 1.636750
H 0.555026 -1.622380 -0.927074
H 4.519504 -4.147091 -0.331613
H 3.053291 -4.011214 0.643868
H 4.573559 -3.336323 1.235427
H 6.180612 2.605832 1.731601
H 6.479445 1.720866 0.232302
H 5.498499 3.189884 0.211348
H -1.747053 -1.696488 -0.604304
H -3.932850 -2.171426 -0.040360
H -2.494606 1.927489 0.002967
H -6.166336 -1.386590 0.664174
H -4.749308 2.680326 0.712501
H -6.586344 1.035534 1.044983


%chk=000218539-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218539

0 1
O -0.637274 1.462425 -0.481573
N 0.423282 -0.522035 -1.100995
N -1.859413 -0.565203 -0.570971
C 2.584773 0.242290 0.010579
C 2.851493 -1.139677 0.669888
C 3.875053 1.044140 -0.311164
C 1.727788 0.134149 -1.283317
C 3.708499 -2.131597 -0.153730
C 4.768963 1.345916 0.914018
C 3.872952 -3.492912 0.557366
C 5.973877 2.243768 0.558271
C -0.691763 0.213179 -0.696053
C -3.147091 -0.148425 -0.135424
C -4.171370 -1.135439 -0.098417
C -3.446341 1.184195 0.258853
C -5.472570 -0.799750 0.326136
C -4.754616 1.501776 0.683236
C -5.775201 0.523957 0.722056
H 1.988406 0.841062 0.730379
H 1.875227 -1.614026 0.903644
H 3.343414 -0.979942 1.649998
H 4.476255 0.508276 -1.075945
H 3.580128 2.008850 -0.774894
H 1.527222 1.153551 -1.657973
H 2.282080 -0.413283 -2.069447
H 3.253664 -2.294950 -1.152316
H 4.709723 -1.696072 -0.340537
H 5.137872 0.398488 1.354705
H 4.157072 1.837923 1.697277
H 0.380214 -1.538975 -1.170234
H 4.492581 -4.190145 -0.036195
H 2.891258 -3.974273 0.729571
H 4.357216 -3.366454 1.543975
H 6.602136 2.448684 1.444588
H 6.614012 1.763759 -0.206238
H 5.636842 3.215293 0.150241
H -1.796318 -1.548534 -0.842906
H -3.947126 -2.166971 -0.402588
H -2.659853 1.939816 0.221728
H -6.248685 -1.573118 0.347403
H -4.975634 2.531920 0.985585
H -6.785747 0.786468 1.052420


