%chk=000213909.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213909

0 1
O -1.323183 -1.763458 1.285493
O -0.885016 2.714749 -0.428798
N 0.394430 -0.416013 0.488913
N 0.515571 0.844898 -0.198099
C -1.700425 0.623204 0.556081
C -3.112585 1.008060 0.805279
C -1.017468 -0.541811 0.791281
C -4.069147 0.378001 -0.220751
C -0.764169 1.579163 -0.046589
C -5.519778 0.811569 0.022273
C 1.085279 -1.548666 -0.118557
C 1.793853 1.514913 -0.102162
C -6.476095 0.166098 -0.977747
C 1.663132 -1.489713 -1.395459
C 1.208836 -2.702671 0.677076
C 1.952950 2.684012 -0.872985
C 2.858390 1.018437 0.668889
C 2.379224 -2.592529 -1.868729
C 1.923399 -3.794779 0.183895
C 3.184080 3.338795 -0.870929
C 4.084800 1.687045 0.649852
C -2.684361 -1.963190 1.767265
C 2.511311 -3.742634 -1.085163
C 4.253895 2.843122 -0.117007
H -3.413627 0.742695 1.837823
H -3.197532 2.119275 0.753157
H -3.753749 0.663636 -1.244015
H -3.989128 -0.729627 -0.181974
H -5.827528 0.554916 1.054285
H -5.596784 1.915446 -0.048981
H -7.508488 0.490400 -0.803916
H -6.459107 -0.926999 -0.910919
H -6.220088 0.434746 -2.009767
H 1.562101 -0.595586 -2.013478
H 0.744469 -2.741629 1.663814
H 1.114480 3.082018 -1.451027
H 2.738323 0.125905 1.281355
H 2.834920 -2.551509 -2.858023
H 2.024700 -4.691920 0.793743
H 3.309759 4.245122 -1.462935
H 4.913401 1.302049 1.243225
H -2.859775 -1.337980 2.647014
H -2.667122 -3.030169 2.023035
H -3.405999 -1.749513 0.961360
H 3.070371 -4.597258 -1.461359
H 5.211277 3.358282 -0.125240


%chk=000213909-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000213909

0 1
O -1.210645 -1.951403 1.578699
O -1.171399 2.496144 -0.429531
N 0.372404 -0.547928 0.569570
N 0.416853 0.725231 -0.082007
C -1.755959 0.368691 0.680298
C -3.190308 0.727465 0.984421
C -0.969184 -0.729568 0.990640
C -4.136333 0.583770 -0.239349
C -0.895968 1.331296 -0.013066
C -5.570636 1.075304 0.057191
C 1.202374 -1.622695 0.069128
C 1.655441 1.439395 -0.181426
C -6.510371 0.944108 -1.160566
C 1.676331 -1.607675 -1.265731
C 1.553525 -2.680155 0.943372
C 1.742775 2.520892 -1.096730
C 2.774537 1.086188 0.614984
C 2.499492 -2.659178 -1.721907
C 2.361922 -3.734608 0.467774
C 2.950933 3.241632 -1.202578
C 3.979640 1.807668 0.483285
C -2.602016 -2.435021 1.645138
C 2.842390 -3.728604 -0.862728
C 4.076899 2.888375 -0.423061
H -3.584654 0.144323 1.836275
H -3.204130 1.791083 1.295280
H -3.711302 1.165172 -1.079899
H -4.167166 -0.475962 -0.569781
H -5.988550 0.504966 0.912969
H -5.527770 2.135116 0.380224
H -7.528308 1.307135 -0.927628
H -6.593809 -0.109549 -1.488122
H -6.129355 1.531740 -2.016589
H 1.406371 -0.782461 -1.930730
H 1.189495 -2.672979 1.973779
H 0.867402 2.798799 -1.687199
H 2.700141 0.264356 1.332137
H 2.869101 -2.642757 -2.753063
H 2.627552 -4.554651 1.143974
H 3.010563 4.081301 -1.903909
H 4.841852 1.526680 1.098346
H -3.129218 -1.974103 2.497818
H -2.516307 -3.520689 1.799271
H -3.137313 -2.222507 0.703161
H 3.480505 -4.542712 -1.222813
H 5.014001 3.447275 -0.518819


