%chk=000249767.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000249767

0 1
O 4.017245 0.863979 0.137632
O -1.513106 -0.079577 0.899337
N 1.714918 -0.777440 -0.073181
N -0.518520 -1.549748 -0.608199
N -2.382027 -0.176873 -1.244269
C 3.078166 -1.392059 -0.037619
C 1.684854 0.468008 0.756964
C 4.071675 -0.363818 -0.629489
C 2.693877 1.466598 0.153727
C 0.635937 -1.737002 0.319436
C 5.518747 -0.815783 -0.497744
C 2.870030 2.708372 1.014205
C -1.475862 -0.556851 -0.226462
C -3.612688 0.554252 -0.841290
C -4.791962 -0.390909 -0.564475
C -6.072360 0.384106 -0.225400
C -6.021331 1.037114 1.153317
H 3.397569 -1.679527 0.986421
H 3.078212 -2.311489 -0.657789
H 0.654200 0.891434 0.731276
H 1.923720 0.280953 1.825404
H 3.803161 -0.122667 -1.682308
H 2.422861 1.719371 -0.895307
H 0.278846 -1.605872 1.371827
H 0.971887 -2.794066 0.197841
H 6.197138 -0.047982 -0.895009
H 5.799269 -0.955086 0.554725
H 5.707197 -1.749777 -1.034001
H 3.600744 3.392078 0.562433
H 1.927253 3.249148 1.143831
H 3.259649 2.452446 2.008532
H -0.225316 -1.542971 -1.591917
H -3.388636 1.164905 0.067657
H -3.856671 1.266018 -1.660573
H -4.977102 -1.041947 -1.439646
H -4.533445 -1.073001 0.271132
H -2.497370 -0.787781 -2.051005
H -6.266805 1.153389 -0.998509
H -6.935565 -0.310587 -0.271291
H -6.957037 1.558886 1.381728
H -5.208917 1.769897 1.227324
H -5.854634 0.296258 1.944734


%chk=000249767-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000249767

0 1
O 4.285385 0.804412 0.246152
O -1.659332 -0.353331 1.111739
N 1.892374 -0.707281 -0.296542
N -0.465091 -1.046912 -0.788949
N -2.550323 0.015984 -1.024092
C 3.160036 -1.392655 0.056114
C 1.819158 0.632401 0.342025
C 4.362439 -0.531949 -0.385060
C 3.018137 1.492507 -0.098477
C 0.689627 -1.536083 -0.041358
C 5.709665 -1.125617 0.026890
C 3.066860 2.854912 0.593318
C -1.566288 -0.455040 -0.152351
C -3.797746 0.610435 -0.520732
C -5.011751 -0.344492 -0.624424
C -6.336488 0.301187 -0.148925
C -6.359049 0.644804 1.358325
H 3.246529 -1.582600 1.155846
H 3.196216 -2.368743 -0.465567
H 0.876248 1.120009 0.036423
H 1.817505 0.554211 1.457226
H 4.306787 -0.404234 -1.490169
H 2.974108 1.611388 -1.205065
H 0.380708 -1.548710 1.027206
H 0.935198 -2.570286 -0.351870
H 6.529368 -0.459552 -0.291750
H 5.763420 -1.235090 1.124694
H 5.861812 -2.117338 -0.437104
H 3.954268 3.419280 0.259615
H 2.163373 3.445905 0.357341
H 3.130218 2.728976 1.688691
H -0.348270 -0.961456 -1.800415
H -3.606123 0.874087 0.532545
H -4.009482 1.546913 -1.075767
H -5.125217 -0.673611 -1.678672
H -4.798581 -1.251257 -0.024975
H -2.487433 -0.196005 -2.021135
H -6.531234 1.219415 -0.741535
H -7.169771 -0.393600 -0.373328
H -7.345230 1.043543 1.659271
H -5.599569 1.403712 1.619020
H -6.154659 -0.253839 1.969818


