%chk=000112368.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112368

0 1
 O   7.4000001E-02  -4.375500     -0.9074000    
 N    2.936300     -0.9094000      2.5100000E-02
 N    2.582100       1.477500     -5.3900000E-02
 N   -5.810300      0.8268000     -3.3799998E-02
 N    3.112000      -3.309300      0.1059000    
 N   0.1124000      -4.208500       1.395300    
 C   9.2100002E-02  -1.315700      3.7700001E-02
 C   0.6309000      4.8500001E-02 -6.8999999E-03
 C   -1.425800      -1.455600      4.1900001E-02
 C   -2.233300     -0.1830000     -6.0000003E-04
 C    2.138100      0.2473000     -1.3300000E-02
 C   -1.608100       1.066700     -4.0800001E-02
 C   0.9017000      -2.399800      7.3799998E-02
 C  -0.1476000       1.145400     -4.2800002E-02
 C    4.407600     -0.7624000      2.0800000E-02
 C    2.402700      -2.212100      6.8499997E-02
 C   -3.634600     -0.2535000      1.0000000E-03
 C    4.881700      0.6601000     -2.7700000E-02
 C   -4.402600      0.9097000     -3.7000000E-02
 C   -2.384500       2.232700     -7.8800000E-02
 C    3.961300       1.708900     -6.2100001E-02
 C   -3.777200       2.152800     -7.6800004E-02
 C   0.3221000      -3.759300      0.1183000    
 C   -6.616800       2.030500     -7.1699999E-02
 C   -6.469500     -0.4640000     -6.3999998E-03
 C    6.256200      0.9388000     -3.7999999E-02
 C    4.424800       3.029700     -0.1066000    
 C    6.709300       2.256200     -8.2400002E-02
 C    5.792600       3.302700     -0.1167000    
 C   -6.719600       2.634200       1.315900    
 C   -6.508000      -1.060300      -1.400300    
 H   -1.722900      -1.994900      0.9510000    
 H   -1.720800      -2.057800     -0.8279000    
 H   0.2655000       2.148900     -7.5599998E-02
 H    4.812400      -1.283900     -0.8554000    
 H    4.811500      -1.222800      0.9310000    
 H   -4.069700      -1.246900      3.5500001E-02
 H   -1.913600       3.212700     -0.1110000    
 H   -4.312200       3.095100     -0.1110000    
 H   -6.257300       2.758100     -0.8080000    
 H   -7.632300       1.785400     -0.4096000    
 H   -6.026500      -1.152500      0.7218000    
 H   -7.505200     -0.3419000      0.3371000    
 H    6.979200      0.1274000     -1.1300000E-02
 H    3.718500       3.856200     -0.1339000    
 H    4.112900      -3.105100      9.9900000E-02
 H    7.775000       2.465000     -9.0099998E-02
 H    6.141100       4.330600     -0.1513000    
 H   -7.162500       1.920400       2.019400    
 H   -5.751100       2.936000       1.723700    
 H   -7.361300       3.520900       1.292200    
 H   -7.032900     -0.3951000      -2.094900    
 H   -5.512200      -1.243800      -1.813100    
 H   -7.042700      -2.015500      -1.384800    
 H  -0.2825000      -5.127400       1.565800    
 H   0.3367000      -3.652900       2.215000    


%chk=000112368-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000112368

0 1
O -0.976835 -3.986352 0.356247
N 2.898203 -0.900349 0.186259
N 2.576183 1.494423 -0.019691
N -5.863310 0.921517 -0.066207
N 3.180212 -3.273694 0.398785
N 1.167042 -4.849572 0.480819
C 0.067108 -1.276983 0.179079
C 0.637482 0.056155 0.083797
C -1.451939 -1.392244 0.166917
C -2.261126 -0.116579 0.062816
C 2.095670 0.260681 0.080611
C -1.601530 1.150823 -0.024105
C 0.898857 -2.405067 0.278921
C -0.173363 1.192749 -0.010990
C 4.387026 -0.791184 0.198296
C 2.372021 -2.222212 0.291467
C -3.661093 -0.181919 0.041922
C 4.895552 0.634920 0.071305
C -4.472381 0.997836 -0.053715
C -2.401203 2.330108 -0.124051
C 3.967611 1.707639 -0.029047
C -3.795135 2.267087 -0.135182
C 0.295905 -3.796598 0.374413
C -6.709911 2.118285 -0.266171
C -6.577197 -0.361649 0.119277
C 6.280619 0.894817 0.055347
C 4.455445 3.037439 -0.143878
C 6.761311 2.219925 -0.059274
C 5.840854 3.292183 -0.158709
C -7.021289 2.877400 1.044699
C -6.778128 -1.150084 -1.195645
H -1.764355 -1.967857 1.060290
H -1.741050 -2.094246 -0.639721
H 0.347928 2.154521 -0.079505
H 4.790793 -1.405045 -0.635541
H 4.764277 -1.237543 1.143911
H -4.129346 -1.169913 0.087252
H -1.903660 3.305177 -0.185217
H -4.366133 3.197047 -0.191826
H -6.230008 2.793144 -0.997788
H -7.655431 1.784024 -0.732582
H -6.039017 -0.980199 0.859852
H -7.562203 -0.133019 0.567478
H 6.993210 0.062953 0.132605
H 3.721660 3.846016 -0.219852
H 4.192364 -3.086685 0.404168
H 7.839282 2.412958 -0.070819
H 6.206525 4.321207 -0.247608
H -7.547006 2.222684 1.762917
H -6.095406 3.233838 1.528125
H -7.667133 3.751384 0.840863
H -7.354153 -0.555426 -1.927530
H -5.809943 -1.410033 -1.656966
H -7.331908 -2.086947 -1.001614
H 0.761817 -5.782709 0.543743
H 2.193333 -4.608531 0.485758


