%chk=000212617.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212617

0 1
O -0.047417 -0.547547 -0.429526
O -2.706306 -0.982626 -0.021896
N 3.232677 -0.707068 0.775922
C 2.225198 -1.362183 -0.116652
C 1.358849 -0.269797 -0.774706
C 3.663124 -1.623779 1.885424
C 4.415794 -0.227351 -0.018001
C 1.316010 -0.353808 -2.292367
C 2.533739 -1.807139 2.898300
C 5.165794 0.848407 0.768621
C -0.550639 -0.080039 0.752306
C -1.952388 -0.252763 0.905434
C 0.179723 0.529677 1.778698
C -2.607248 0.180356 2.056407
C -0.484941 0.958945 2.932245
C -1.863870 0.788154 3.075956
C -2.941840 -0.415143 -1.269345
C -2.668017 0.914967 -1.607337
C -3.543371 -1.314025 -2.169913
C -3.010970 1.351225 -2.890430
C -3.874556 -0.847939 -3.439673
C -3.610941 0.480338 -3.804276
H 2.676064 -2.030778 -0.877942
H 1.554143 -2.016332 0.492397
H 1.619675 0.751000 -0.418743
H 4.005906 -2.613264 1.512363
H 4.536123 -1.155359 2.394749
H 5.108371 -1.050532 -0.297601
H 4.048403 0.211291 -0.972029
H 0.631658 0.400763 -2.706845
H 0.930206 -1.326435 -2.630136
H 2.304328 -0.201264 -2.735749
H 2.197620 -0.840737 3.297744
H 1.651272 -2.283454 2.451159
H 2.857548 -2.425906 3.741086
H 4.479206 1.633699 1.113072
H 5.653130 0.439967 1.661522
H 5.936760 1.321337 0.151905
H 1.262786 0.651228 1.690833
H -3.682832 0.033816 2.149398
H 0.087820 1.432185 3.729694
H -2.366477 1.126146 3.979110
H -2.199613 1.587513 -0.894903
H -3.734032 -2.338938 -1.863719
H -2.809056 2.383087 -3.176082
H -4.342112 -1.522945 -4.155961
H -3.875302 0.830951 -4.797813


%chk=000212617-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000212617

0 1
O -0.150267 -0.665964 -0.432519
O -2.873003 -0.850674 0.014628
N 3.185367 -0.716230 0.845310
C 2.219068 -1.419545 -0.043888
C 1.275097 -0.449388 -0.814967
C 3.773170 -1.638098 1.863148
C 4.243311 -0.025457 0.048667
C 1.292326 -0.662980 -2.331272
C 2.785181 -2.053273 2.969155
C 4.992916 1.064825 0.836821
C -0.628304 -0.117133 0.761321
C -2.041485 -0.178120 0.947233
C 0.177052 0.467690 1.769000
C -2.630353 0.321272 2.122464
C -0.426298 0.978891 2.942162
C -1.824572 0.906795 3.127438
C -3.033958 -0.333538 -1.293930
C -2.674669 0.983174 -1.662116
C -3.643809 -1.208161 -2.221115
C -2.927660 1.417919 -2.982814
C -3.891278 -0.758631 -3.535143
C -3.533772 0.555023 -3.925225
H 2.752665 -2.073839 -0.777568
H 1.587708 -2.083006 0.570376
H 1.539809 0.597391 -0.561297
H 4.197297 -2.551852 1.372415
H 4.622174 -1.112868 2.335189
H 4.974462 -0.763965 -0.370956
H 3.753524 0.451709 -0.820593
H 0.595497 0.030561 -2.830895
H 0.985455 -1.694973 -2.577340
H 2.310551 -0.498144 -2.729053
H 2.382212 -1.163547 3.482842
H 1.929937 -2.633441 2.579336
H 3.301409 -2.685545 3.715025
H 4.279879 1.808318 1.234524
H 5.565188 0.651910 1.686507
H 5.711021 1.584844 0.176199
H 1.269087 0.474657 1.658698
H -3.716664 0.242477 2.231068
H 0.207804 1.423961 3.717222
H -2.286724 1.296056 4.040402
H -2.212582 1.654437 -0.931083
H -3.908800 -2.219724 -1.899077
H -2.653113 2.439064 -3.271898
H -4.363456 -1.436019 -4.255698
H -3.728403 0.901041 -4.946003


