%chk=000088776.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088776

0 1
 O   -2.928700      -2.824600      0.4118000    
 O   -2.431100       3.299700      9.6799999E-02
 O  -0.3390000       2.799600     -0.3419000    
 N   -2.552000      -1.608400      0.2879000    
 N   -1.515200       2.463500     -7.4900001E-02
 C    2.840000     -0.2906000     -0.9295000    
 C    3.693200     -0.1122000      0.3352000    
 C    1.422900     -0.6315000     -0.6111000    
 C  -0.8536000      8.1500001E-02 -0.1392000    
 C    5.132700      0.2759000     -2.0000001E-03
 C   0.4828000      0.3872000     -0.4407000    
 C   -1.229500      -1.276200     -1.1400000E-02
 C    1.042800      -1.966500     -0.4831000    
 C  -0.2794000      -2.291700     -0.1841000    
 C   -1.823200       1.076100      3.8300000E-02
 C    5.961200      0.4906000       1.254600    
 C   -3.137400      0.7332000      0.3360000    
 C   -3.486600     -0.6053000      0.4573000    
 H    3.276300      -1.076500      -1.560100    
 H    2.878100      0.6227000      -1.537500    
 H    3.690200      -1.041500      0.9190000    
 H    3.247700      0.6615000      0.9736000    
 H    5.596000     -0.5090000     -0.6110000    
 H    5.140300       1.196200     -0.5975000    
 H   0.9362000       1.353700     -0.5659000    
 H    1.769600      -2.764500     -0.6121000    
 H  -0.5446000      -3.341300     -9.0200000E-02
 H    5.999100     -0.4208000       1.859800    
 H    5.541900       1.294000       1.868700    
 H    6.987000      0.7655000      0.9899000    
 H   -3.921100       1.471400      0.4819000    
 H   -4.486100     -0.9459000      0.6866000    


%chk=000088776-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000088776

0 1
O -2.798309 -2.911877 0.589229
O -2.900440 3.307866 -0.101384
O -0.680902 3.070472 -0.545800
N -2.532667 -1.630337 0.384858
N -1.840141 2.572638 -0.243463
C 2.889613 -0.154303 -0.944586
C 3.782375 -0.130911 0.329821
C 1.448762 -0.517097 -0.632657
C -0.892879 0.174649 -0.185633
C 5.254214 0.219401 0.015601
C 0.465316 0.480018 -0.526493
C -1.206584 -1.219058 0.040559
C 1.088748 -1.883836 -0.402892
C -0.220101 -2.233067 -0.071521
C -1.979670 1.122122 -0.049292
C 6.142264 0.238909 1.278088
C -3.267401 0.670938 0.290554
C -3.530992 -0.685156 0.503006
H 3.317640 -0.884909 -1.659774
H 2.935408 0.838854 -1.429331
H 3.736814 -1.118975 0.831434
H 3.369113 0.604575 1.048638
H 5.657580 -0.514096 -0.712309
H 5.295520 1.208871 -0.483350
H 0.728163 1.522953 -0.704353
H 1.852693 -2.664265 -0.495388
H -0.527717 -3.266362 0.106033
H 6.144978 -0.747948 1.778002
H 5.776821 0.984336 2.009011
H 7.188546 0.494487 1.030024
H -4.075337 1.398523 0.389848
H -4.510930 -1.081616 0.768719


