%chk=000048165.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048165

0 1
 O  -1.6799999E-02  0.2940000       2.406700    
 O  -7.7399999E-02  0.2245000      -2.386000    
 O   0.2724000       4.149900     -5.0000001E-02
 N   0.1628000       2.197600       1.151300    
 N   0.1361000       2.163500      -1.191500    
 C   0.1947000      2.3000001E-03  1.0900000E-02
 C  -0.9278000      -1.022800      3.9500002E-02
 C   -2.300500     -0.3513000      8.1000002E-03
 C    1.511400     -0.7226000      5.2999998E-03
 C   -3.426200      -1.386900      2.9000000E-03
 C   9.0999998E-02  0.8241000       1.298900    
 C   5.9000000E-02  0.7865000      -1.297300    
 C   -4.799400     -0.7154000      5.2999998E-03
 C    2.694600      3.5999999E-03  5.5199999E-02
 C    1.530200      -2.110500     -5.0000001E-02
 C   0.2029000       2.919600     -3.1399999E-02
 C   -5.921000      -1.741400      3.4000002E-02
 C    3.916600     -0.6690000      4.9500000E-02
 C    2.752100      -2.783200     -5.5500001E-02
 C    3.945300      -2.062400     -5.7999999E-03
 H  -0.8942000      -1.652500      0.9400000    
 H  -0.9045000      -1.683300     -0.8390000    
 H   -2.430700      0.2996000      0.8804000    
 H   -2.412600      0.2802000     -0.8803000    
 H   -3.333600      -2.029800     -0.8809000    
 H   -3.334100      -2.033400      0.8842000    
 H   -4.892400     -5.9200000E-02  0.8786000    
 H   -4.908200     -8.6800002E-02 -0.8860000    
 H   0.1555000       2.742400       2.009100    
 H   0.1086000       2.683300      -2.064300    
 H    2.697400       1.088700      9.5299996E-02
 H   0.6607000      -2.754100     -8.7300003E-02
 H   -5.876200      -2.395900     -0.8423000    
 H   -6.893800      -1.239700      3.4000002E-02
 H   -5.860200      -2.364400      0.9320000    
 H    4.845700     -0.1079000      8.7399997E-02
 H    2.776400      -3.868300     -9.7800002E-02
 H    4.896600      -2.586200     -1.0100000E-02


%chk=000048165-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048165

0 1
O -0.075599 0.281252 2.429750
O -0.078594 0.231423 -2.434222
O 0.502918 4.169392 -0.042749
N 0.267902 2.178659 1.159488
N 0.276412 2.153799 -1.204563
C 0.165703 -0.059410 0.001017
C -1.034834 -1.054935 0.011324
C -2.417417 -0.365689 0.015149
C 1.557263 -0.766277 0.003931
C -3.575499 -1.388265 0.022380
C 0.098233 0.785905 1.293676
C 0.099236 0.759605 -1.309510
C -4.969850 -0.721665 0.024115
C 2.737178 0.023061 0.041937
C 1.680551 -2.174631 -0.039201
C 0.366168 2.921244 -0.030339
C -6.125403 -1.744899 0.032713
C 4.010911 -0.582262 0.038649
C 2.957077 -2.781052 -0.042366
C 4.126272 -1.990199 -0.003733
H -0.940431 -1.689928 0.910706
H -0.951707 -1.694431 -0.885903
H -2.513288 0.287730 0.906092
H -2.520041 0.282804 -0.878855
H -3.487718 -2.049828 -0.864410
H -3.482206 -2.042964 0.913686
H -5.054941 -0.058543 0.909033
H -5.060960 -0.066551 -0.866158
H 0.284454 2.727553 2.025726
H 0.300696 2.683903 -2.082185
H 2.674180 1.117331 0.075725
H 0.792030 -2.809620 -0.069986
H -6.081067 -2.401334 -0.856766
H -7.110190 -1.243040 0.032641
H -6.076325 -2.391720 0.928948
H 4.909833 0.043022 0.069066
H 3.035331 -3.873238 -0.075240
H 5.114124 -2.463402 -0.006468


