%chk=000157871.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157871

0 1
 O   -4.761500       1.632100     -0.1057000    
 O   -1.501700     -0.8499000      -1.822700    
 O    2.454700       2.486100     -0.4175000    
 O    3.033100      -2.165300      0.6111000    
 O   0.9332000      0.2365000       1.560500    
 N   -2.864900     -0.9902000      -1.592600    
 N   0.4650000     -0.2964000     -0.6880000    
 C   -4.371800     -0.7513000      0.3009000    
 C   -4.751200      0.6283000      0.9034000    
 C   -2.963700     -0.7022000     -0.3263000    
 C   -5.480000      -1.151000     -0.7045000    
 C   -4.403900      -1.805500       1.434500    
 C   -1.815100     -0.3797000      0.3342000    
 C  -0.8873000     -0.4862000     -0.6679000    
 C   -5.084700       2.906300      0.4323000    
 C    1.285600      4.6900000E-02  0.4016000    
 C    2.737100      0.1597000      9.8399997E-02
 C    3.244100       1.381500     -0.2975000    
 C    3.535600     -0.9602000      0.2204000    
 C    4.605300       1.487800     -0.5830000    
 C    4.896700     -0.8539000     -6.5300003E-02
 C    5.431600      0.3702000     -0.4669000    
 C    2.311100       3.308000      0.7388000    
 C    3.952400      -3.251600      0.7019000    
 H   -4.034500      0.9133000       1.684500    
 H   -5.745200      0.5762000       1.366500    
 H   -5.534000     -0.4542000      -1.549000    
 H   -6.465900      -1.162700     -0.2252000    
 H   -5.303400      -2.152400      -1.115100    
 H   -3.697500      -1.556800       2.235000    
 H   -5.400100      -1.875900       1.886100    
 H   -4.134400      -2.798900       1.056800    
 H   -1.655500     -0.1090000       1.366700    
 H   0.9076000     -0.4379000      -1.592600    
 H   -5.082900       3.634500     -0.3833000    
 H   -6.081300       2.891400      0.8841000    
 H   -4.339000       3.211100       1.172900    
 H    5.029100       2.437800     -0.8973000    
 H    5.600000      -1.676700      1.9000000E-03
 H    6.491400      0.4542000     -0.6898000    
 H    1.575800       4.086000      0.5161000    
 H    1.957700       2.729900       1.597500    
 H    3.264500       3.788300      0.9808000    
 H    4.385300      -3.497800     -0.2738000    
 H    3.382300      -4.128900       1.025400    
 H    4.716800      -3.071800       1.465500    


%chk=000157871-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157871

0 1
O -4.816104 1.061890 -0.915234
O -1.332928 -1.965202 -0.886955
O 2.724173 2.793124 0.574492
O 2.796274 -1.928021 -0.641398
O 0.674219 1.051279 1.266904
N -2.799575 -2.032948 -0.657712
N 0.526410 -0.679910 -0.278274
C -4.471956 -0.753112 0.691476
C -4.818016 0.746898 0.510443
C -3.054196 -1.001574 0.184166
C -5.505929 -1.626268 -0.061875
C -4.513026 -1.073053 2.215743
C -1.869378 -0.258859 0.535798
C -0.839122 -0.882341 -0.149371
C -4.988399 2.488001 -1.171747
C 1.247784 0.292382 0.428209
C 2.723658 0.366647 0.124166
C 3.421521 1.599184 0.335197
C 3.504428 -0.746677 -0.336335
C 4.825613 1.685568 0.179217
C 4.906431 -0.664810 -0.484691
C 5.562783 0.554320 -0.212946
C 2.629501 3.240611 1.979773
C 3.540322 -3.127642 -1.041536
H -4.077564 1.383722 1.046063
H -5.823786 0.943067 0.948703
H -5.528510 -1.361920 -1.130808
H -6.512707 -1.461685 0.365966
H -5.254537 -2.696826 0.025855
H -3.781189 -0.468801 2.782615
H -5.522308 -0.871341 2.620912
H -4.279821 -2.138609 2.386395
H -1.770394 0.602758 1.185896
H 1.073300 -1.370454 -0.814893
H -4.962919 2.610410 -2.265911
H -5.960519 2.861550 -0.782166
H -4.168542 3.083869 -0.715813
H 5.307515 2.655621 0.332945
H 5.485805 -1.528673 -0.819389
H 6.648998 0.621076 -0.335129
H 2.187699 4.247324 1.932910
H 1.966235 2.557185 2.535850
H 3.634195 3.289644 2.445128
H 4.085933 -2.959073 -1.988573
H 2.773065 -3.902066 -1.184922
H 4.242061 -3.436568 -0.245344


