%chk=000158974.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158974

0 1
 O   -4.325200      -1.049400       1.211700    
 O   -4.808400      0.3492000     -0.5223000    
 O   0.6174000      0.7854000       2.908800    
 O  -0.1541000       2.421400       1.527200    
 O    3.312500       2.148500     -0.3968000    
 O    4.072000      -2.361600      0.6640000    
 O    1.585800       2.210100      -1.895100    
 N   -2.583100     -0.5697000      -1.824300    
 N    3.114900     -0.4348000     -0.1738000    
 C   -1.625500      0.3883000      9.1600001E-02
 C  -0.5170000      0.3176000     -0.9807000    
 C   -2.627500     -0.6688000     -0.3598000    
 C   -1.149700     -0.4757000      -2.133400    
 C   -1.194300      0.2169000       1.543800    
 C   0.7812000     -0.2995000     -0.5675000    
 C   -4.029200     -0.3837000      6.8700001E-02
 C    2.003400      0.2666000     -0.5916000    
 C   0.6730000      -1.671200     -8.9199997E-02
 C  -0.2164000       1.279700       1.958100    
 C    1.738200      -2.370600      0.3206000    
 C    2.249600       1.638500      -1.051600    
 C    3.082300      -1.737000      0.2917000    
 H   -2.101000       1.378800      6.0000001E-03
 H  -0.3864000       1.346700      -1.322400    
 H   -2.364400      -1.688700     -6.0800001E-02
 H   -1.006600      4.3499999E-02  -3.088200    
 H  -0.7479000      -1.485200      -2.270500    
 H   -3.023600      0.3063000      -2.111100    
 H   -2.066500      0.3344000       2.199000    
 H  -0.7972000     -0.7779000       1.756200    
 H  -0.2835000      -2.176600     -7.6300003E-02
 H    4.013600      3.7999999E-02 -0.2122000    
 H    1.655600      -3.393700      0.6666000    
 H   -5.242500     -0.8731000       1.511400    
 H    1.273700       1.452700       3.202100    
 H    3.511600       3.067600     -0.6759000    


%chk=000158974-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158974

0 1
O -4.227686 1.681346 0.521089
O -4.102204 1.420973 -1.786578
O 0.447989 -0.834351 3.244587
O 0.413622 1.236295 2.199870
O 2.597042 2.736123 -0.633069
O 4.885716 -1.159880 0.366659
O 0.339289 2.429513 -1.086219
N -2.834585 -1.074418 -1.494964
N 3.103216 0.239788 -0.224850
C -1.539222 0.174687 0.224074
C -0.623229 -0.311590 -0.962928
C -2.994009 -0.215560 -0.299613
C -1.424069 -1.523731 -1.526474
C -1.261728 -0.491323 1.589431
C 0.840078 -0.540434 -0.623134
C -3.817900 1.018651 -0.636865
C 1.777745 0.503182 -0.549922
C 1.348590 -1.865951 -0.347955
C -0.065673 0.087270 2.324005
C 2.672251 -2.112463 -0.025203
C 1.449913 1.935832 -0.784394
C 3.658772 -1.037523 0.066219
H -1.437479 1.266250 0.343008
H -0.686112 0.492669 -1.718702
H -3.525175 -0.754571 0.509064
H -1.125042 -1.799574 -2.551939
H -1.312762 -2.422633 -0.889708
H -3.120268 -0.570184 -2.347771
H -2.135022 -0.323036 2.252606
H -1.140096 -1.586522 1.513577
H 0.659854 -2.714411 -0.403278
H 3.745648 1.039933 -0.171710
H 3.036971 -3.122815 0.179149
H -4.735230 2.502550 0.278791
H 1.208903 -0.421989 3.738232
H 2.356691 3.690900 -0.761082


