%chk=000281456.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281456

0 1
O -3.540712 -2.089365 0.256288
O -4.648059 0.552350 -0.263588
O 5.066169 -2.220716 -1.637012
N 3.786836 -0.142701 -0.297544
N 5.137778 -0.367970 -0.222283
C -0.503108 -0.008833 0.176935
C -1.040958 1.272076 -0.121033
C 1.740831 0.936118 0.209190
C 0.909545 -0.155836 0.333082
C -1.383266 -1.126197 0.330965
C -2.451893 1.423144 -0.297467
C -0.152131 2.384507 -0.259042
C -2.737707 -0.958292 0.173144
C -3.279797 0.335128 -0.159162
C 1.200535 2.223861 -0.098701
C 3.211293 0.802654 0.394110
C 3.864942 1.758402 1.348311
C -4.509826 -2.046028 1.340520
C -5.279984 -0.175017 -1.354201
C 5.700370 -1.450181 -0.961404
H 1.318671 -1.147365 0.538083
H -0.976467 -2.109256 0.568962
H -2.868118 2.399248 -0.543565
H -0.572563 3.360641 -0.498865
H 1.879954 3.066572 -0.215998
H 4.497469 2.485935 0.821765
H 3.123667 2.336710 1.921120
H 4.481589 1.236160 2.092265
H -5.094433 -2.954984 1.163335
H -5.130024 -1.144859 1.270831
H -3.981532 -2.092831 2.296545
H -4.933174 0.235268 -2.306536
H -6.341200 0.038645 -1.189844
H -5.065626 -1.247823 -1.281312
H 5.745689 0.233661 0.341635
H 6.796039 -1.485927 -0.822630


%chk=000281456-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000281456

0 1
O -3.542843 -2.151211 -0.052947
O -4.747935 0.496574 -0.092202
O 4.962236 -2.852540 -0.498173
N 3.677895 -0.325478 -0.017019
N 5.047630 -0.538935 0.019742
C -0.507792 0.037369 0.090374
C -1.115392 1.355044 0.101331
C 1.744528 1.055286 0.212359
C 0.911806 -0.079958 0.144880
C -1.359754 -1.116745 0.048233
C -2.539923 1.467344 0.028459
C -0.256675 2.499285 0.161181
C -2.745287 -0.985005 0.002821
C -3.346181 0.331656 -0.039733
C 1.129907 2.356898 0.215933
C 3.222660 0.888943 0.265195
C 4.138366 2.049407 0.633259
C -4.410585 -2.359730 1.131183
C -5.391437 -0.024832 -1.323089
C 5.592417 -1.803945 -0.237201
H 1.379629 -1.069720 0.133491
H -0.927742 -2.122907 0.064332
H -3.020135 2.451527 0.008146
H -0.704394 3.499905 0.157617
H 1.749370 3.259083 0.239082
H 4.752848 2.374984 -0.230194
H 3.575137 2.922860 0.988333
H 4.829169 1.764431 1.452256
H -4.987287 -3.271479 0.913752
H -5.086460 -1.498747 1.282296
H -3.788033 -2.513649 2.032902
H -5.040610 0.548651 -2.201893
H -6.470532 0.134304 -1.176995
H -5.169927 -1.098086 -1.460271
H 5.710068 0.224140 0.222835
H 6.706058 -1.747825 -0.173378


