%chk=000040724.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040724

0 1
 O   0.5481000       2.009700       1.580000    
 N   -2.402300     -0.5424000     -0.2460000    
 C  -0.7862000       1.303800     -0.3211000    
 C   -1.113700     -7.8699999E-02  0.2589000    
 C   0.5633000       1.879700      0.1584000    
 C   -3.467300      0.3870000      0.1332000    
 C   -2.697300      -1.885700      0.2542000    
 C   0.7832000       3.273900     -0.4376000    
 C   -4.805400     -4.8099998E-02 -0.4399000    
 C   -1.602500      -2.866900     -0.1291000    
 C    1.683300       1.000800     -0.2237000    
 C    3.707100     -0.6088000     -0.8897000    
 C    2.594400      0.2790000     -0.5270000    
 C    4.065300      -1.575400      0.2390000    
 C    2.930100      -2.528100      0.5903000    
 H  -0.8064000       1.258000      -1.418300    
 H   -1.530500       2.039500     -1.9000000E-03
 H  -0.3107000     -0.7500000     -5.5500001E-02
 H   -1.115300     -4.8999999E-02   1.355300    
 H   -3.546200      0.5044000       1.221100    
 H   -3.310000       1.377800     -0.2993000    
 H   -2.837000      -1.897100       1.342500    
 H   -3.614100      -2.273400     -0.2015000    
 H   0.8137000       3.249500      -1.532500    
 H  -1.1800000E-02   3.961400     -0.1265000    
 H    1.724800       3.709000     -8.1000000E-02
 H   -4.731600     -0.2927000      -1.505200    
 H   -5.230500     -0.9041000      9.3300000E-02
 H   -5.530100      0.7685000     -0.3429000    
 H   -1.328000      -2.780800      -1.186100    
 H  -0.7038000      -2.754600      0.4855000    
 H   -1.958500      -3.891200      3.0600000E-02
 H   0.5720000       1.122500       1.976000    
 H    4.588400     -4.1999999E-03  -1.133500    
 H    3.450000      -1.173700      -1.793300    
 H    4.353000      -1.015500       1.137300    
 H    4.938900      -2.164100     -6.4800002E-02
 H    3.264100      -3.245800       1.346400    
 H    2.604200      -3.091700     -0.2898000    
 H    2.065900      -1.995300      0.9987000    


%chk=000040724-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040724

0 1
O 0.486036 2.556510 1.315256
N -2.373458 -0.547585 0.013955
C -0.753146 1.314360 -0.464300
C -1.063580 0.055975 0.371781
C 0.580765 2.022108 -0.080691
C -3.518482 0.168650 0.641901
C -2.414849 -2.015383 0.257629
C 0.797096 3.284123 -0.940522
C -4.834601 0.004555 -0.142016
C -1.647668 -2.824254 -0.805898
C 1.735514 1.096466 -0.192091
C 3.874012 -0.556942 -0.401530
C 2.706821 0.338659 -0.291823
C 3.871377 -1.725088 0.628415
C 2.682206 -2.690905 0.450061
H -0.720758 1.021178 -1.529871
H -1.560323 2.062187 -0.348098
H -0.270105 -0.689024 0.183724
H -1.022043 0.301458 1.466420
H -3.665689 -0.156184 1.704097
H -3.264905 1.243790 0.680598
H -2.029879 -2.269604 1.278806
H -3.474394 -2.329021 0.237015
H 0.851448 3.021872 -2.010796
H -0.043532 3.981275 -0.779630
H 1.732242 3.786718 -0.645036
H -4.708483 0.373621 -1.174651
H -5.156182 -1.051454 -0.196109
H -5.647473 0.576508 0.343647
H -2.062147 -2.619610 -1.808293
H -0.572427 -2.569086 -0.824646
H -1.730265 -3.908269 -0.600763
H 0.503173 1.786590 1.940908
H 4.800489 0.038245 -0.276330
H 3.909732 -0.981021 -1.425846
H 3.862106 -1.302027 1.650982
H 4.824066 -2.279158 0.517666
H 2.718373 -3.508046 1.193199
H 2.687527 -3.147147 -0.557919
H 1.722008 -2.157840 0.575297


