%chk=000261740.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000261740

0 1
O -2.156485 -2.113232 1.815750
O 7.232312 1.493452 -0.357139
O 7.084523 0.747953 1.740261
N 1.111313 -0.159548 -0.613654
N -1.971204 0.368564 0.383886
N -4.380478 1.362557 -0.734835
N -5.555233 -0.510415 0.153759
N -4.412106 -2.220906 1.439138
N -6.768028 -2.287940 1.213405
C 0.064967 1.847055 -1.751277
C -0.697500 2.262814 -0.486757
C 0.410484 0.346184 -1.811894
C -1.992909 1.520617 -0.321789
C 2.429179 0.177919 -0.321661
C -3.212639 2.011827 -0.886658
C -3.133909 -0.308759 0.545025
C -4.346006 0.190981 -0.010932
C 2.927290 -0.125183 0.978725
C 3.300334 0.743815 -1.289038
C -3.129410 -1.604985 1.330186
C 4.252752 0.123756 1.283950
C 4.626757 0.985818 -0.963746
C 5.118370 0.687492 0.320521
C -5.519403 -1.704568 0.939625
C 6.507356 0.941641 0.690799
H -0.517948 2.114953 -2.653955
H 1.001125 2.442803 -1.805599
H -0.052402 2.095179 0.408241
H -0.883098 3.357032 -0.505921
H 1.029285 0.145814 -2.717651
H -0.519874 -0.257613 -1.928311
H 0.491475 -0.409987 0.165363
H -3.237664 2.944461 -1.466546
H 2.268456 -0.564153 1.725172
H 2.939707 0.970438 -2.286979
H -6.422809 -0.085008 -0.178885
H 4.646873 -0.109684 2.278640
H 5.307100 1.415932 -1.705792
H -6.726602 -3.173868 1.721329
H -7.474250 -2.276000 0.489915
H 8.176302 1.661094 -0.102276


%chk=000261740-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000261740

0 1
O -1.666831 -2.170256 1.137553
O 7.243212 1.286619 0.028312
O 6.825253 0.373723 2.123888
N 0.969845 0.042334 -0.723345
N -1.879805 0.441988 0.007410
N -4.497160 1.465618 -0.431433
N -5.388838 -0.516378 0.503732
N -4.002265 -2.328505 1.305505
N -6.323703 -2.473499 1.446615
C -0.013066 1.930736 -2.120080
C -0.819514 2.472094 -0.900452
C 0.387604 0.430238 -2.008091
C -2.059601 1.678416 -0.553906
C 2.288161 0.222572 -0.346393
C -3.382239 2.170143 -0.769457
C -2.974152 -0.287772 0.349560
C -4.279550 0.243239 0.129898
C 2.704087 -0.190297 0.964314
C 3.268534 0.802254 -1.216751
C -2.806241 -1.660316 0.958030
C 4.028851 -0.025700 1.377460
C 4.596522 0.956190 -0.792427
C 5.001239 0.551780 0.508854
C -5.193624 -1.777274 1.086137
C 6.380803 0.704510 0.991119
H -0.595760 2.063698 -3.053784
H 0.894881 2.556569 -2.212579
H -0.150424 2.457442 -0.020084
H -1.094038 3.525728 -1.092598
H 1.084622 0.184516 -2.832004
H -0.508476 -0.196586 -2.158159
H 0.290190 -0.298660 -0.031949
H -3.547307 3.154035 -1.220073
H 1.967956 -0.649642 1.634884
H 2.987983 1.128816 -2.223161
H -6.313108 -0.108941 0.334856
H 4.345637 -0.342593 2.376863
H 5.340481 1.397056 -1.462757
H -6.172230 -3.387939 1.868166
H -7.270029 -2.122600 1.322582
H 8.148100 1.344948 0.436141


