%chk=000148962.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148962

0 1
 O  -0.1926000      -1.393400       1.532400    
 O  -0.5151000      0.9864000      -1.611500    
 O   -2.229600      -2.578300      -1.171400    
 O   -2.897800      -4.523900     -0.2145000    
 N   0.9118000      0.7303000      0.1985000    
 N   0.2347000      -2.726000     -0.3184000    
 N   0.6227000       3.734700     -0.5473000    
 N    7.573200      0.4550000      0.3342000    
 N   -4.002300       2.025900     -0.5221000    
 N   -4.079800      0.8280000       1.346400    
 C    1.363500     -0.5940000     -0.1468000    
 C    2.777900     -0.8829000      0.3685000    
 C    3.817400      9.7700000E-02 -0.1850000    
 C    5.210000     -0.1932000      0.3802000    
 C  -0.3540000       2.790700     -2.4999999E-03
 C   0.3735000      -1.584100      0.4579000    
 C  -7.4999998E-03   1.421400     -0.5790000    
 C   -1.773300       3.213300     -0.4112000    
 C    6.251900      0.7617000     -0.2004000    
 C   -2.831200       2.280300      0.1344000    
 C  -0.6099000      -3.831500      6.9100000E-02
 C   -2.902300       1.530300       1.284700    
 C   -4.719300       1.149200      0.2437000    
 C   -2.022000      -3.697700     -0.4400000    
 H    1.347000     -0.6885000      -1.239600    
 H    3.063100      -1.908600      0.1021000    
 H    2.786300     -0.8346000       1.465600    
 H    3.838800      2.5200000E-02  -1.279100    
 H    3.540000       1.128100      6.6000000E-02
 H    5.488400      -1.229300      0.1491000    
 H    5.187200     -0.1010000       1.473400    
 H    1.230500       1.136900       1.073500    
 H  -0.2645000       2.772000       1.090000    
 H   -1.863700       3.257800      -1.504800    
 H   -1.985500       4.221300     -3.1700000E-02
 H    6.279400      0.6714000      -1.291600    
 H    5.993000       1.798200      4.2399999E-02
 H   0.7394000      -2.800400      -1.196800    
 H   0.4231000       4.671500     -0.1984000    
 H    1.553500       3.497500     -0.2054000    
 H  -0.6376000      -3.900500       1.160600    
 H  -0.1706000      -4.738600     -0.3553000    
 H    8.247100       1.131900     -2.1400001E-02
 H    7.567300      0.5632000       1.347700    
 H   -4.288800       2.413600      -1.411200    
 H   -2.169900       1.456200       2.075700    
 H   -5.691700      0.7862000     -5.7100002E-02
 H   -3.155100      -2.513700      -1.490000    


%chk=000148962-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000148962

0 1
O 0.757438 -2.086037 2.128603
O 0.457372 1.708584 -1.126565
O -2.985801 -2.453810 -0.638682
O -3.299045 -2.299906 1.665059
N 0.822487 0.440610 0.797833
N -0.292062 -2.673195 0.123851
N 0.358602 3.695506 1.352054
N 7.445639 0.891461 -0.823978
N -2.326758 1.625979 -1.753961
N -3.585088 -0.054380 -0.990094
C 1.340051 -0.786969 0.144739
C 2.873550 -0.947700 0.275192
C 3.664770 0.178051 -0.423424
C 5.191995 -0.009047 -0.292009
C -0.463012 2.517896 1.037957
C 0.591390 -1.930654 0.876839
C 0.326912 1.537890 0.128015
C -1.758017 2.989973 0.299037
C 5.993448 1.119850 -0.971836
C -2.495684 1.869082 -0.380665
C -1.340797 -3.510872 0.745564
C -3.295734 0.817620 0.076105
C -2.980966 0.463571 -2.084583
C -2.665071 -2.721237 0.664167
H 1.061198 -0.717937 -0.923533
H 3.152885 -1.927582 -0.162769
H 3.130847 -0.999253 1.350909
H 3.385619 0.217017 -1.495998
H 3.368660 1.156623 0.004895
H 5.505330 -0.973006 -0.737499
H 5.466019 -0.054475 0.784106
H 0.668435 0.349653 1.808437
H -0.788116 1.943818 1.941722
H -1.438435 3.742651 -0.443546
H -2.412088 3.497739 1.031442
H 5.757616 1.125765 -2.053824
H 5.642833 2.101172 -0.563661
H -0.456870 -2.415120 -0.853006
H -0.128181 4.437148 1.862452
H 1.293669 3.501367 1.717402
H -1.069283 -3.685229 1.796615
H -1.429737 -4.470447 0.208296
H 8.033581 1.506723 -1.394512
H 7.760596 0.861204 0.151477
H -1.629619 2.113285 -2.320484
H -3.652725 0.602614 1.080008
H -2.982448 0.019725 -3.075753
H -3.518806 -1.500020 -0.778795


