%chk=000291558.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291558

0 1
S 1.692655 -0.826270 0.827558
O 0.947550 -1.351606 -0.302446
O 1.959977 -1.671818 1.973328
N 0.842452 0.521610 1.488719
C 3.156570 -0.118963 0.239932
C -0.009060 1.331541 0.583019
C 4.148809 0.284350 1.138151
C 3.347954 0.034982 -1.137259
C -1.261120 0.614668 0.150770
C -2.490826 1.063552 0.423227
C -3.724868 0.384696 -0.005831
C 5.333544 0.852815 0.658686
C 4.531168 0.602540 -1.617555
C 5.522460 1.012199 -0.718110
C -3.794867 -1.015355 -0.100807
C -4.860695 1.154634 -0.316466
C -4.981438 -1.633354 -0.504032
C -6.041813 0.530968 -0.723005
C -6.105726 -0.863545 -0.816904
H 0.582981 1.620727 -0.318389
H -0.242827 2.289154 1.107418
H 0.383431 0.363930 2.397396
H -1.083126 -0.308786 -0.417363
H 4.006848 0.151266 2.215407
H 2.574634 -0.297818 -1.840184
H -2.650025 1.988595 0.984099
H 6.107744 1.167195 1.357056
H 4.682653 0.721675 -2.689362
H 6.446548 1.454700 -1.092570
H -2.922785 -1.622503 0.142425
H -4.818163 2.239582 -0.246620
H -5.027940 -2.719130 -0.575060
H -6.916014 1.132079 -0.966972
H -7.027788 -1.347110 -1.132057


%chk=000291558-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000291558

0 1
S 1.780440 -0.696339 0.561284
O 1.293945 -1.374241 -0.846118
O 1.787676 -1.508720 1.973937
N 0.759742 0.844067 0.909817
C 3.503360 0.009086 0.251548
C -0.133166 1.250503 -0.228625
C 4.277040 0.376409 1.364118
C 3.943040 0.096220 -1.078220
C -1.423882 0.468942 -0.325993
C -2.647538 1.015360 -0.067613
C -3.959528 0.339174 -0.120480
C 5.574727 0.880058 1.117242
C 5.244382 0.603599 -1.303009
C 6.052224 0.996750 -0.210489
C -4.111984 -1.040589 -0.443231
C -5.131645 1.095449 0.164290
C -5.388892 -1.634620 -0.477956
C -6.411153 0.501452 0.128819
C -6.545915 -0.868394 -0.192920
H 0.458700 1.146916 -1.157458
H -0.329846 2.329619 -0.078143
H 0.218205 0.572315 1.756387
H -1.312963 -0.584690 -0.613961
H 3.888786 0.256846 2.380306
H 3.299391 -0.242366 -1.896614
H -2.683673 2.081980 0.207661
H 6.209399 1.176027 1.958844
H 5.624158 0.684574 -2.326723
H 7.059428 1.386752 -0.392716
H -3.230297 -1.651473 -0.666137
H -5.032700 2.159334 0.415033
H -5.486518 -2.697328 -0.726916
H -7.299212 1.103371 0.351671
H -7.536834 -1.334841 -0.221435


