%chk=000219301.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219301

0 1
O -4.604791 -0.106901 -1.473958
O -4.602111 -0.097926 0.764919
N -0.272861 -0.009690 0.667607
C 0.522488 -1.142920 0.338313
C 0.471610 1.158429 0.341266
C 1.815384 -0.689358 -0.099124
C 1.783262 0.763574 -0.097260
C -1.725653 -0.042059 0.869571
C -2.481242 -0.057498 -0.472510
C 0.218024 -2.505052 0.434769
C 0.107245 2.505521 0.441200
C 2.798132 -1.622985 -0.425660
C 2.723767 1.740558 -0.421346
C 1.222399 -3.412139 0.096304
C 1.070527 3.456977 0.105120
C 2.492603 -2.981817 -0.326723
C 2.358485 3.084299 -0.318943
C -3.959601 -0.088306 -0.258014
H -1.993727 -0.941502 1.474237
H -2.033324 0.843490 1.475949
H -2.203793 0.826118 -1.093804
H -2.166961 -0.928191 -1.094474
H -0.756541 -2.846267 0.766823
H -0.881432 2.802476 0.774088
H 3.782630 -1.293251 -0.750828
H 3.721857 1.455494 -0.747304
H 1.019254 -4.481222 0.161089
H 0.820334 4.515867 0.172641
H 3.247879 -3.723239 -0.579301
H 3.080239 3.859024 -0.569576
H -5.595979 -0.127504 -1.383472


%chk=000219301-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000219301

0 1
O -4.811025 -0.104577 -1.379022
O -4.574763 -0.100614 0.931918
N -0.278777 -0.011197 0.474656
C 0.539418 -1.138390 0.254699
C 0.487549 1.152309 0.257126
C 1.863189 -0.691570 -0.089034
C 1.830143 0.766438 -0.087667
C -1.710000 -0.043680 0.775209
C -2.567701 -0.055684 -0.513193
C 0.214953 -2.509729 0.338688
C 0.101314 2.507395 0.343496
C 2.873567 -1.646601 -0.346344
C 2.796094 1.766651 -0.343877
C 1.242042 -3.443176 0.077441
C 1.084929 3.486811 0.083075
C 2.557620 -3.019564 -0.261625
C 2.418144 3.123757 -0.257217
C -4.049353 -0.087521 -0.203960
H -1.934847 -0.934490 1.386358
H -1.973231 0.830195 1.395553
H -2.354694 0.834256 -1.134571
H -2.318263 -0.930100 -1.142987
H -0.792550 -2.851200 0.599300
H -0.920459 2.802380 0.605506
H 3.888582 -1.327491 -0.608092
H 3.824442 1.494322 -0.606530
H 1.020293 -4.514678 0.136880
H 0.814896 4.547085 0.144145
H 3.330182 -3.770518 -0.458662
H 3.155683 3.909285 -0.453662
H -5.779274 -0.126104 -1.146008


