%chk=000171523.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171523

0 1
 O   -3.284400      -1.366300      -1.213600    
 O   -4.048300      -3.136600     -1.1900000E-02
 N   -3.221100      -1.757400       2.292700    
 C    1.147200      -2.281700     -0.1772000    
 C    1.977300      -1.917900      -1.410100    
 C  -0.2938000      -1.759300     -0.2322000    
 C   0.4312000       3.005700      0.3880000    
 C    1.729600       2.276600      4.6300001E-02
 C    3.416700      -2.446300      -1.353100    
 C  -0.7423000       2.671200     -0.5398000    
 C    2.836300       2.600100       1.055800    
 C   -1.101500      -2.061900       1.038100    
 C   -2.072400       3.336100     -0.1704000    
 C    4.287900      -1.880900     -0.2256000    
 C    4.164900       1.907300      0.7328000    
 C   -2.537500      -1.513900       1.024000    
 C   -3.242000       2.874000      -1.042800    
 C    4.392000     -0.3841000     -0.2583000    
 C    4.072500      0.4094000      0.7749000    
 C   -4.541800       3.547400     -0.6303000    
 C   -3.370700      -2.121500     -8.7300003E-02
 H    1.624400      -1.872800      0.7205000    
 H    1.130300      -3.372000     -5.8800001E-02
 H    1.978300     -0.8311000      -1.551300    
 H    1.491700      -2.341800      -2.298000    
 H  -0.2765000     -0.6765000     -0.3955000    
 H  -0.7865000      -2.207500      -1.102300    
 H   0.6054000       4.088500      0.3633000    
 H   0.1431000       2.758000       1.417500    
 H    2.053700       2.558100     -0.9627000    
 H    1.535500       1.198400      3.5200000E-02
 H    3.897600      -2.226600      -2.315300    
 H    3.395100      -3.539600      -1.264400    
 H  -0.4763000       2.950600      -1.566800    
 H  -0.8863000       1.584500     -0.5412000    
 H    2.508900       2.313800       2.063400    
 H    3.004300       3.684000       1.074400    
 H  -0.5658000      -1.641700       1.899300    
 H   -1.126700      -3.150100       1.183300    
 H   -2.300600       3.115200      0.8798000    
 H   -1.961900       4.424600     -0.2486000    
 H    5.298700      -2.294500     -0.3279000    
 H    3.912900      -2.228600      0.7438000    
 H    4.912900       2.223400       1.469800    
 H    4.523900       2.250700     -0.2451000    
 H   -2.508500     -0.4268000      0.8774000    
 H   -3.357700       1.787000     -0.9627000    
 H   -3.032500       3.102400      -2.094100    
 H    4.751300      6.1600000E-02  -1.182600    
 H    3.724300     -3.5599999E-02   1.703700    
 H   -4.468000       4.635300     -0.7271000    
 H   -4.793800       3.310500      0.4083000    
 H   -5.364100       3.204600      -1.265900    
 H   -2.684200      -1.346000       3.055300    
 H   -4.123500      -1.283100       2.292700    
 H   -3.821600      -1.738300      -1.945200    


%chk=000171523-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000171523

0 1
O -3.308994 -0.981167 -1.361439
O -4.094823 -2.731312 -0.056603
N -3.292794 -1.180076 2.181843
C 1.161102 -2.283407 -0.102724
C 2.035543 -2.080033 -1.361280
C -0.271777 -1.734479 -0.289707
C 0.374134 2.903264 0.460157
C 1.739158 2.359454 -0.019436
C 3.474223 -2.638489 -1.247016
C -0.767240 2.682095 -0.558541
C 2.887900 2.633402 0.977035
C -1.143164 -1.873345 0.978844
C -2.155790 3.112998 -0.034665
C 4.336563 -1.985089 -0.127106
C 4.221486 1.925316 0.604774
C -2.513740 -1.112373 0.932067
C -3.294088 2.877856 -1.054351
C 4.444760 -0.478863 -0.260033
C 4.133853 0.415926 0.714495
C -4.680247 3.288174 -0.511756
C -3.389667 -1.703386 -0.166645
H 1.630120 -1.771655 0.761703
H 1.118708 -3.363024 0.152807
H 2.086507 -0.994856 -1.585543
H 1.534248 -2.556710 -2.228986
H -0.211495 -0.664353 -0.578402
H -0.754979 -2.253026 -1.141764
H 0.462444 3.987667 0.682329
H 0.107444 2.413103 1.420783
H 1.992452 2.807451 -1.003197
H 1.658487 1.266033 -0.188993
H 3.989195 -2.494943 -2.219259
H 3.435667 -3.733125 -1.071411
H -0.537685 3.236176 -1.492673
H -0.804529 1.608560 -0.841323
H 2.578425 2.302342 1.991109
H 3.062039 3.726410 1.046934
H -0.588058 -1.461426 1.847063
H -1.341983 -2.941237 1.200553
H -2.386026 2.556405 0.899160
H -2.128192 4.187039 0.246197
H 5.349740 -2.437598 -0.171474
H 3.925198 -2.239203 0.868917
H 5.014855 2.296916 1.287499
H 4.525988 2.211454 -0.421746
H -2.314461 -0.055661 0.677664
H -3.309517 1.806224 -1.338136
H -3.073285 3.446317 -1.981376
H 4.795122 -0.101886 -1.235551
H 3.778234 0.031636 1.686243
H -4.698532 4.359381 -0.233833
H -4.939528 2.702370 0.390358
H -5.475400 3.120441 -1.261738
H -2.776823 -0.871044 3.010151
H -3.768363 -2.079489 2.312395
H -3.874814 -1.424556 -2.052175


