%chk=000122623.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122623

0 1
 O   -2.068200      4.6999998E-02  -1.360500    
 O   0.6764000       1.735500     -0.1691000    
 O   -2.438600      -4.129300      -1.560800    
 O  -9.6799999E-02   3.773000     -0.8816000    
 N   -1.236900      -1.345700      0.2905000    
 N   -1.544900       2.225300      4.6100002E-02
 C   -1.738200      0.9900000      0.7918000    
 C   -3.116400       1.137600       1.426900    
 C  -0.9823000      -2.492400     -0.5716000    
 C   -3.863100       2.046500      0.4520000    
 C  -0.7892000      -1.604000       1.656700    
 C  -8.2599998E-02  -3.405100      0.2534000    
 C   -1.698000     -0.1337000     -0.1992000    
 C   -2.781300       2.994600     -4.1999999E-02
 C  -0.4858000      -3.094200       1.692800    
 C   -2.307600      -3.130700     -0.8608000    
 C  -0.3019000       2.670700     -0.3784000    
 C    1.997600       2.108600     -0.5759000    
 C    2.939200      0.9790000     -0.2778000    
 C    3.578000      0.9226000      0.9560000    
 C    3.164200     -1.5000000E-03  -1.237600    
 C    4.453200     -0.1275000       1.233400    
 C    4.039400      -1.051700     -0.9601000    
 C    4.683800      -1.114600      0.2755000    
 H  -0.9528000      0.9086000       1.546600    
 H   -3.635000      0.1870000       1.583800    
 H   -3.026600       1.643800       2.395800    
 H  -0.5325000      -2.169100      -1.515400    
 H   -4.700900       2.572600      0.9180000    
 H   -4.257500       1.455600     -0.3829000    
 H   -1.552700      -1.308600       2.381600    
 H   0.1224000      -1.021800       1.831100    
 H  -0.1874000      -4.467800      1.5200000E-02
 H   0.9667000      -3.121700      0.1041000    
 H   -2.677900       3.866400      0.6131000    
 H   -2.940500       3.341400      -1.066900    
 H   -1.391800      -3.654600       1.953000    
 H   0.2917000      -3.348500       2.418500    
 H   -3.198700      -2.667900     -0.4013000    
 H    2.004100       2.334100      -1.649600    
 H    2.308600       3.013200     -3.8500000E-02
 H    3.403400       1.684700       1.710500    
 H    2.665000      3.5900000E-02  -2.201900    
 H    4.954200     -0.1772000       2.195700    
 H    4.217900      -1.821200      -1.705400    
 H    5.364400      -1.932800      0.4917000    


%chk=000122623-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122623

0 1
O -1.580741 -0.142808 -1.306431
O 0.568214 1.799796 0.803820
O -1.588005 -4.564099 -0.371196
O 0.202037 3.738415 -0.513259
N -1.032112 -1.214417 0.673917
N -1.558029 2.349363 0.169561
C -2.020438 1.083882 0.782389
C -3.570098 1.216255 0.693606
C -0.465309 -2.384266 -0.061836
C -3.794703 2.070986 -0.581615
C -0.682518 -1.259622 2.125753
C 0.530676 -3.016114 0.930381
C -1.513879 -0.132018 -0.032062
C -2.627897 3.085663 -0.552328
C -0.079300 -2.673562 2.315060
C -1.616900 -3.315908 -0.474033
C -0.246015 2.727435 0.088871
C 2.037127 1.992672 0.666072
C 2.662374 0.751662 0.061146
C 3.770432 0.128772 0.686336
C 2.163706 0.214445 -1.154217
C 4.382969 -1.005229 0.103050
C 2.770905 -0.919902 -1.734546
C 3.884643 -1.532559 -1.110055
H -1.672380 1.022917 1.825566
H -4.070464 0.234591 0.645284
H -3.939253 1.749371 1.589230
H 0.010049 -2.017632 -0.993970
H -4.778978 2.568260 -0.588809
H -3.705782 1.432041 -1.475478
H -1.573107 -1.102744 2.760067
H 0.059212 -0.468734 2.346943
H 0.612815 -4.102870 0.765031
H 1.526402 -2.555425 0.809829
H -2.890867 4.009174 -0.000794
H -2.275468 3.373750 -1.556564
H -0.875205 -3.398341 2.564862
H 0.666190 -2.691248 3.126989
H -2.507385 -2.782306 -0.886103
H 2.193165 2.888820 0.035387
H 2.428776 2.189219 1.679090
H 4.159455 0.532774 1.629591
H 1.296499 0.677252 -1.639265
H 5.243149 -1.474630 0.593573
H 2.382116 -1.321150 -2.677402
H 4.358020 -2.409831 -1.564937


