%chk=000253652.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253652

0 1
O -4.671561 -0.033523 0.553282
O -1.844944 -2.388351 0.852632
O -5.169536 1.723088 -0.913638
N -0.470387 0.282905 -0.306532
N 1.311831 1.727634 -0.552153
N 0.791111 -1.721648 0.483903
N 4.244153 0.707797 0.109744
N 3.193805 -1.343048 0.633751
C -1.888198 -0.213963 -0.426402
C -2.367158 -1.039427 0.818321
C -2.818916 0.998701 -0.680964
C -4.305450 0.590679 -0.719600
C -3.895982 -1.267590 0.754391
C 0.687435 -0.428257 0.051211
C -0.015031 1.569794 -0.660845
C 1.780828 0.475116 -0.105906
C 3.092915 -0.028519 0.206880
C 2.076469 -2.097757 0.749370
C 4.223896 2.119036 -0.329081
C 5.553490 0.118257 0.446859
H -1.925528 -0.907889 -1.292418
H -2.111156 -0.454699 1.731149
H -2.698141 1.743217 0.130963
H -2.578268 1.488593 -1.642250
H -4.520439 -0.096803 -1.563716
H -4.104361 -1.991932 -0.060689
H -4.243073 -1.694034 1.706571
H -0.688273 2.357156 -0.983723
H -0.814219 -2.360996 0.790070
H -5.256580 2.199647 -0.047736
H 2.218594 -3.124618 1.097577
H 5.259267 2.495017 -0.330175
H 3.609910 2.740371 0.344873
H 3.797363 2.219095 -1.341496
H 6.227135 0.157380 -0.429850
H 5.399863 -0.927814 0.746365
H 6.021935 0.675885 1.279760


%chk=000253652-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000253652

0 1
O -4.657565 -0.070288 0.566442
O -1.757844 -2.348422 0.846464
O -5.215310 1.662861 -0.910393
N -0.477115 0.324670 -0.322498
N 1.315149 1.755112 -0.554893
N 0.745278 -1.692503 0.469039
N 4.236205 0.691545 0.116660
N 3.152454 -1.345597 0.631684
C -1.885206 -0.186389 -0.434637
C -2.326333 -1.017697 0.816263
C -2.842865 1.004543 -0.686834
C -4.318368 0.557459 -0.713643
C -3.849618 -1.284150 0.767122
C 0.667585 -0.396316 0.036998
C -0.014104 1.610338 -0.668654
C 1.770557 0.494579 -0.111718
C 3.073682 -0.028077 0.206491
C 2.023749 -2.086319 0.741183
C 4.239000 2.103337 -0.321084
C 5.535186 0.082264 0.458695
H -1.916658 -0.884664 -1.297559
H -2.076891 -0.422535 1.724360
H -2.735247 1.753337 0.123261
H -2.618490 1.497680 -1.650419
H -4.520225 -0.139981 -1.552728
H -4.047288 -2.017501 -0.042588
H -4.178238 -1.713563 1.724527
H -0.680848 2.403528 -0.990726
H -0.727148 -2.284918 0.767413
H -5.276416 2.171198 -0.060455
H 2.150025 -3.115175 1.089473
H 5.279853 2.463861 -0.317239
H 3.631234 2.733154 0.350559
H 3.818632 2.210402 -1.335359
H 6.212145 0.109772 -0.415919
H 5.364461 -0.960927 0.758919
H 6.009381 0.633882 1.292287


