%chk=000173576.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173576

0 1
 O   -6.448800      -1.262400      0.4029000    
 O   -5.285700      0.5941000     -0.2019000    
 N   2.5300000E-02  8.5299999E-02  0.4137000    
 C    1.305000      0.7578000      0.1143000    
 C    1.594300       1.806200       1.226600    
 C    1.108800       1.520900      -1.227000    
 C   0.5721000       2.944500       1.291900    
 C   7.6600000E-02   2.649900      -1.157300    
 C   0.4112000       3.641800     -5.1700000E-02
 C    2.437100     -0.2879000      7.1099997E-02
 C  -0.2912000     -0.8960000     -0.6116000    
 C   -1.587900      -1.647500     -0.3033000    
 C    3.166200     -0.4680000      -1.100300    
 C    2.722300      -1.044100       1.203700    
 C   -2.813800     -0.7279000     -0.2415000    
 C    4.190600      -1.413900      -1.139500    
 C    3.746900      -1.989800       1.164500    
 C    4.481000      -2.174700     -7.1000000E-03
 C   -4.096700      -1.490000      7.9200000E-02
 C   -5.313100     -0.5983000      7.3399998E-02
 H    2.589900       2.241600       1.061000    
 H    1.634800       1.333000       2.216000    
 H    2.061500       2.010400      -1.482600    
 H   0.8931000      0.8849000      -2.090700    
 H   0.8897000       3.674600       2.045400    
 H  -0.3983000       2.555500       1.623200    
 H  -0.9272000       2.238200     -0.9995000    
 H   5.0900001E-02   3.177100      -2.118300    
 H  -0.3772000       4.399900      1.6500000E-02
 H    1.339500       4.169900     -0.3022000    
 H   5.6100000E-02 -0.3560000       1.331500    
 H  -0.4491000     -0.4449000      -1.594200    
 H   0.4857000      -1.660400     -0.7155000    
 H   -1.484100      -2.184300      0.6483000    
 H   -1.747800      -2.408500      -1.077300    
 H    2.983600      8.9900002E-02  -2.010900    
 H    2.162800     -0.9230000       2.126500    
 H   -2.923100     -0.2095000      -1.202600    
 H   -2.665400      5.0700001E-02  0.5168000    
 H    4.761900      -1.559500      -2.051700    
 H    3.972400      -2.583400       2.045600    
 H    5.278200      -2.911600     -3.7700001E-02
 H   -4.014200      -1.948900       1.070700    
 H   -4.255300      -2.278600     -0.6647000    
 H   -7.233200     -0.6734000      0.3937000    


%chk=000173576-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000173576

0 1
O -6.552751 -0.741585 0.383538
O -5.278806 0.791865 -0.804525
N 0.078690 -0.066751 0.416706
C 1.320511 0.689542 0.064123
C 1.578306 1.715043 1.218123
C 1.077557 1.495613 -1.247536
C 0.445965 2.758443 1.368129
C -0.079808 2.508182 -1.110578
C 0.190467 3.506450 0.039305
C 2.557901 -0.249328 -0.043904
C -0.304557 -1.220101 -0.426439
C -1.706154 -1.741242 -0.039220
C 3.437781 -0.262343 -1.156535
C 2.831441 -1.152490 1.020033
C -2.830078 -0.717304 -0.306693
C 4.549778 -1.136548 -1.202223
C 3.939217 -2.024503 0.983440
C 4.809447 -2.020111 -0.132399
C -4.206598 -1.236268 0.147548
C -5.339514 -0.276696 -0.158914
H 2.535288 2.230979 1.004810
H 1.725957 1.167282 2.171614
H 2.005311 2.050989 -1.490850
H 0.887341 0.808109 -2.094591
H 0.714171 3.475788 2.168783
H -0.485992 2.249890 1.680019
H -1.018759 1.960432 -0.907035
H -0.211042 3.052273 -2.066450
H -0.663146 4.202512 0.151084
H 1.079308 4.123376 -0.212019
H 0.067144 -0.317340 1.416078
H -0.324690 -0.887845 -1.481895
H 0.429353 -2.059165 -0.372042
H -1.704724 -2.025890 1.035538
H -1.902124 -2.674137 -0.606743
H 3.263889 0.408192 -2.003605
H 2.163592 -1.180467 1.891483
H -2.865541 -0.477265 -1.386791
H -2.588996 0.228702 0.210315
H 5.211982 -1.125669 -2.075983
H 4.124534 -2.707286 1.820893
H 5.670902 -2.696508 -0.166688
H -4.220939 -1.443938 1.235321
H -4.449418 -2.202103 -0.340680
H -7.276797 -0.097079 0.154855


