%chk=000041436.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041436

0 1
 O   -3.975100       1.156900     -0.4512000    
 O   -3.105600      8.4899999E-02   1.400500    
 N   -2.995800       2.133800     -0.2699000    
 N    2.690800     -0.1209000      0.2728000    
 N    2.466100      0.9106000     -0.4032000    
 C    6.775800      -1.040200      0.1726000    
 C    8.230200      -1.368400      0.1379000    
 C   -1.629700       1.827900     -0.3029000    
 C    6.273300     -0.2047000       1.170000    
 C    5.918000      -1.569300     -0.7917000    
 C    4.061700     -0.4288000      0.2387000    
 C    4.912900      0.1017000       1.203200    
 C    4.557600      -1.262900     -0.7587000    
 C    9.030200     -0.3739000     -0.6994000    
 C  -0.7628000       2.355000      0.6618000    
 C   -1.115900      0.9915000      -1.301200    
 C    1.101900       1.216300     -0.3692000    
 C   0.5980000       2.050400      0.6287000    
 C   0.2449000      0.6868000      -1.334100    
 C   -3.508600       3.388600      0.2523000    
 C   -4.973300     -0.8353000      0.2403000    
 C   -3.931500      0.1503000      0.4805000    
 C   -4.765100      -2.169500      0.5904000    
 C   -6.181000     -0.4468000     -0.3396000    
 C   -5.764500      -3.115100      0.3603000    
 C   -7.180400      -1.392300     -0.5695000    
 C   -6.972000      -2.726600     -0.2194000    
 H    8.633200      -1.392000       1.158100    
 H    8.376200      -2.380100     -0.2610000    
 H    6.931500      0.2152000       1.926000    
 H    6.297400      -2.220400      -1.574900    
 H    4.529600      0.7531000       1.984000    
 H    3.896100      -1.679700      -1.513400    
 H    8.681100     -0.3592000      -1.737400    
 H    10.09000     -0.6477000     -0.7006000    
 H    8.941400      0.6419000     -0.2997000    
 H   -1.127200       3.000000       1.456900    
 H   -1.769400      0.5731000      -2.062900    
 H    1.257800       2.466500       1.385700    
 H   0.6282000      3.7000000E-02  -2.116500    
 H   -4.535400       3.555000     -9.1300003E-02
 H   -2.907700       4.236500     -9.3699999E-02
 H   -3.518300       3.378400       1.347000    
 H   -3.828900      -2.489600       1.040400    
 H   -6.376900      0.5873000     -0.6109000    
 H   -5.602300      -4.154000      0.6322000    
 H   -8.122000      -1.089800      -1.018200    
 H   -7.750400      -3.462600     -0.3980000    


%chk=000041436-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041436

0 1
O -4.046646 0.887288 -0.741354
O -3.769007 1.127068 1.594707
N -3.161511 2.040189 -0.912865
N 2.869121 -0.109093 -0.697318
N 2.422813 1.115592 -0.529675
C 7.098120 -0.742969 -0.447483
C 8.588658 -1.014989 -0.315351
C -1.788832 1.768280 -0.757531
C 6.184984 -1.794921 -0.720070
C 6.576787 0.567991 -0.255276
C 4.291070 -0.238359 -0.598424
C 4.799407 -1.549792 -0.793786
C 5.197508 0.827326 -0.327805
C 9.000484 -1.327843 1.149931
C -0.873086 2.832162 -0.502907
C -1.283961 0.441993 -0.941960
C 1.010331 1.253102 -0.622064
C 0.504189 2.567903 -0.443012
C 0.089351 0.190873 -0.870425
C -3.794347 3.313306 -0.546442
C -5.165561 -0.680849 0.710164
C -4.270602 0.503923 0.640383
C -5.477097 -1.192441 1.998502
C -5.700408 -1.300672 -0.451062
C -6.317719 -2.316154 2.123813
C -6.541581 -2.424713 -0.317133
C -6.851247 -2.933519 0.966836
H 8.874493 -1.869127 -0.958524
H 9.165214 -0.138912 -0.669682
H 6.566424 -2.811244 -0.877948
H 7.272803 1.391607 -0.050290
H 4.085909 -2.353341 -1.005489
H 4.793429 1.834229 -0.184874
H 8.758040 -0.480765 1.816852
H 10.086297 -1.523699 1.220598
H 8.462899 -2.216142 1.527845
H -1.234485 3.850707 -0.338715
H -1.984719 -0.372123 -1.146548
H 1.220396 3.371913 -0.243274
H 0.485405 -0.819857 -1.008016
H -4.859347 3.255278 -0.820811
H -3.335720 4.118506 -1.146143
H -3.700546 3.545151 0.532199
H -5.051334 -0.699999 2.878947
H -5.455999 -0.900140 -1.438497
H -6.556481 -2.711558 3.116631
H -6.955352 -2.904617 -1.210263
H -7.504446 -3.807645 1.065405


