%chk=000292743.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000292743

0 1
O 3.970475 0.660523 0.537962
O 1.642300 2.483968 0.509484
O 3.250765 -2.204769 0.462860
N -1.295797 -1.249170 -0.113616
N -2.627238 0.747816 -0.165833
N -3.548841 -2.855076 -0.525400
N -5.066334 0.593019 -0.489718
N -3.962992 2.685670 -0.318870
C -0.005456 -0.685335 0.091590
C 2.656906 0.214141 0.419363
C 1.576114 1.123539 0.387441
C 2.360758 -1.169509 0.366494
C 0.252165 0.682253 0.210627
C 1.047258 -1.623684 0.193075
C -2.530473 -0.614651 -0.242358
C -3.710353 -1.420299 -0.451064
C -4.938468 -0.753909 -0.560137
C -3.886352 1.305940 -0.312006
C 4.597349 0.882556 -0.760004
C 2.881444 3.094368 0.956459
C 4.599085 -1.935527 0.929528
H -0.545415 1.430309 0.173826
H 0.871098 -2.695133 0.148499
H -1.333330 -2.283505 -0.176846
H -5.874482 -1.309692 -0.707570
H 4.049760 1.647965 -1.316624
H 4.632877 -0.052533 -1.325521
H 5.598181 1.224342 -0.481167
H 3.546719 3.210507 0.097116
H 3.358385 2.498314 1.742627
H 2.532834 4.062361 1.334208
H 4.602025 -1.187923 1.730595
H 5.203773 -1.601691 0.082484
H 4.914246 -2.921210 1.290790
H -4.108704 -3.314143 0.190655
H -3.859096 -3.200664 -1.431879
H -3.154923 3.226914 -0.050681
H -4.867366 3.128518 -0.265390


%chk=000292743-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000292743

0 1
O 4.133250 0.573561 0.150694
O 1.990594 2.499533 0.019420
O 3.415688 -2.241586 0.148549
N -1.264870 -1.167531 -0.133225
N -2.601073 0.832910 -0.207321
N -3.437223 -2.814164 -0.310431
N -5.047699 0.621966 -0.373669
N -3.993479 2.709861 -0.284929
C 0.053345 -0.671003 -0.033594
C 2.774780 0.162326 0.128980
C 1.715606 1.110737 0.074097
C 2.443199 -1.221675 0.149020
C 0.368682 0.713062 -0.017082
C 1.097092 -1.629882 0.069706
C -2.485079 -0.526322 -0.214598
C -3.645569 -1.382776 -0.306692
C -4.890468 -0.737935 -0.381136
C -3.875768 1.338955 -0.289013
C 4.602254 1.098776 -1.155715
C 2.666859 3.048427 1.216268
C 4.425573 -2.192581 1.228689
H -0.424626 1.457990 -0.075288
H 0.885280 -2.704445 0.077721
H -1.403668 -2.191184 -0.143314
H -5.813174 -1.328236 -0.450422
H 3.996990 1.973278 -1.455864
H 4.540619 0.308357 -1.926504
H 5.651623 1.393242 -0.998164
H 3.626957 2.533659 1.398399
H 2.009908 2.949640 2.101759
H 2.835602 4.113385 0.993475
H 3.934551 -2.320205 2.213139
H 4.982989 -1.241695 1.202524
H 5.095438 -3.043932 1.032585
H -3.824735 -3.318370 0.492804
H -3.632803 -3.286016 -1.198912
H -3.157092 3.284038 -0.232805
H -4.920654 3.120434 -0.348152


