%chk=000230390.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230390

0 1
O -1.852626 0.652599 -1.120408
O -2.574594 -0.941439 2.002878
O -4.967836 -1.409957 1.045510
O -5.458602 -0.935591 -1.915533
N 0.847318 0.221525 0.044184
N -0.818422 2.829701 1.537369
C -1.573107 -0.207849 -0.013058
C -2.893862 -0.241137 0.793490
C -0.401826 0.330484 0.864965
C -4.028596 -0.980388 0.047839
C -4.693224 -0.117421 -1.031479
C 2.041643 0.844778 0.704009
C 3.305290 0.182527 0.213581
C -0.630521 1.732403 1.232445
C 4.129307 -0.516406 1.106810
C 3.661211 0.270873 -1.140665
C 5.304048 -1.118888 0.646720
C 4.834337 -0.335968 -1.595757
C 5.657712 -1.030616 -0.703210
H -1.318173 -1.215292 -0.415534
H -3.197200 0.789166 1.093233
H -0.374948 -0.281944 1.819694
H -3.687151 -1.955364 -0.380276
H 1.039091 -0.773039 -0.145822
H -5.335457 0.673099 -0.606936
H -3.931722 0.345525 -1.704474
H 1.986800 0.821879 1.815198
H 2.043536 1.926384 0.419068
H -1.009169 1.002544 -1.504544
H -3.298519 -1.588040 2.231225
H -5.460722 -0.648546 1.423936
H 3.862630 -0.589498 2.159462
H 3.018062 0.812220 -1.834807
H -6.137353 -1.437586 -1.411126
H 5.944857 -1.657974 1.342965
H 5.108781 -0.265772 -2.647430
H 6.572904 -1.500493 -1.059018


%chk=000230390-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230390

0 1
O -1.363316 0.016741 -1.048520
O -3.031209 -0.548802 2.185669
O -5.374503 -0.673593 0.791405
O -5.386953 -1.162357 -2.082936
N 0.841440 -0.164123 0.541658
N -0.805276 2.741745 1.583505
C -1.566523 -0.477150 0.304116
C -2.981207 -0.119578 0.780142
C -0.453074 0.115985 1.235130
C -4.109156 -0.829691 -0.001132
C -4.348849 -0.353617 -1.438835
C 2.059407 0.494905 1.102907
C 3.294676 0.101646 0.306063
C -0.629996 1.574559 1.415812
C 4.400380 -0.511153 0.944852
C 3.361064 0.355940 -1.088577
C 5.555452 -0.862240 0.207557
C 4.510950 0.003788 -1.827447
C 5.612906 -0.606165 -1.180960
H -1.449745 -1.585089 0.348678
H -3.118959 0.982442 0.704475
H -0.551193 -0.353433 2.237410
H -3.951202 -1.922600 0.011559
H 0.984429 -1.184490 0.476143
H -4.624218 0.726958 -1.434936
H -3.436139 -0.471821 -2.039679
H 2.211165 0.243825 2.177041
H 1.894850 1.587313 1.046432
H -0.366349 0.114982 -1.132486
H -3.994065 -0.684669 2.402714
H -5.663382 0.277107 0.735508
H 4.360472 -0.711196 2.022963
H 2.508190 0.830375 -1.587334
H -6.139340 -1.257019 -1.441580
H 6.404587 -1.333668 0.714719
H 4.552195 0.207897 -2.903219
H 6.506386 -0.877255 -1.754313


