%chk=000180791.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180791

0 1
O 6.650672 0.398720 -0.383263
O 0.807685 -1.872920 0.670572
O -6.078555 1.213142 0.247565
N 0.286497 0.213902 -0.167140
N -6.086798 -0.993189 -0.273676
N -7.502999 -1.062582 -0.348974
C -1.135469 0.155321 -0.105296
C 2.619864 -0.410435 0.098896
C -3.934432 0.155508 -0.035082
C -1.854477 1.255069 -0.628790
C -1.823982 -0.934726 0.460612
C 1.189895 -0.800733 0.252152
C -3.244710 1.250242 -0.582720
C -3.215678 -0.925910 0.495441
C 3.471556 -1.268302 -0.627002
C 3.131217 0.742524 0.705727
C 5.311797 0.215639 -0.161510
C 4.815140 -0.959784 -0.771284
C 4.482327 1.070401 0.580103
C -5.419413 0.214333 -0.001834
C 7.292248 1.557657 0.207105
H 0.680616 1.062608 -0.583665
H -1.334328 2.106125 -1.061578
H -1.268984 -1.785697 0.873439
H -3.810569 2.103353 -0.968240
H -3.743078 -1.765920 0.952673
H 3.065056 -2.180913 -1.071707
H 2.476122 1.389554 1.293111
H 5.495078 -1.600578 -1.330428
H 4.870179 1.964139 1.057538
H -5.635782 -1.812612 -0.680698
H 7.226554 1.513667 1.298056
H 6.859662 2.477669 -0.195655
H 8.330592 1.430703 -0.129257
H -7.888360 -0.970236 0.602802
H -7.868943 -0.249340 -0.868092


%chk=000180791-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180791

0 1
O 6.801229 0.345561 -0.122702
O 0.855571 -2.095656 0.084401
O -6.102683 1.354116 0.141014
N 0.274504 0.168503 -0.138448
N -6.196110 -0.939429 -0.189270
N -7.617635 -0.975996 -0.206030
C -1.141237 0.106949 -0.096906
C 2.644465 -0.461968 -0.026034
C -3.991184 0.148302 -0.038130
C -1.854549 1.325195 -0.286217
C -1.865838 -1.094521 0.135897
C 1.201451 -0.877419 -0.014245
C -3.256681 1.343265 -0.253122
C -3.273342 -1.059344 0.165316
C 3.607892 -1.460523 -0.343833
C 3.103303 0.840907 0.295018
C 5.419257 0.152828 -0.066480
C 4.976082 -1.161617 -0.372196
C 4.478379 1.157220 0.277880
C -5.488667 0.250201 -0.012945
C 7.322428 1.680743 0.190870
H 0.661791 1.095980 -0.323824
H -1.303345 2.259174 -0.457454
H -1.318143 -2.025178 0.289974
H -3.814498 2.275813 -0.385134
H -3.802288 -1.993885 0.386845
H 3.248592 -2.471177 -0.561709
H 2.403922 1.625064 0.611747
H 5.722904 -1.920566 -0.622893
H 4.801632 2.167577 0.544121
H -5.739088 -1.801948 -0.484264
H 7.077653 1.972327 1.230378
H 6.930669 2.439285 -0.513940
H 8.412446 1.595143 0.076324
H -7.985581 -0.823714 0.744564
H -7.977101 -0.244813 -0.838671


