%chk=000230741.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230741

0 1
O 2.636455 -0.904310 1.694874
N 3.241743 0.105870 -0.238250
N -3.302936 -1.111274 -0.196299
N -3.663808 1.308930 -0.012134
N -1.886780 2.788183 0.361866
N -5.425568 -0.147232 -0.631471
C 0.867117 -0.678770 0.065475
C 0.254596 -1.964549 0.645780
C 0.043883 0.548044 0.509192
C -1.153706 -2.180947 0.089792
C -1.419716 0.357850 0.255015
C -1.975040 -0.921439 0.058092
C 2.298649 -0.520763 0.581803
C -2.317442 1.463062 0.219722
C 4.637857 0.260645 0.261749
C 2.977871 0.558632 -1.625788
C -4.097969 0.019677 -0.260075
C 4.905739 1.687304 0.738300
C 3.208435 -0.558634 -2.644128
H 0.845502 -0.751064 -1.049110
H 0.233747 -1.897084 1.754618
H 0.895546 -2.837232 0.417560
H 0.417094 1.446874 -0.023718
H 0.206746 0.727409 1.595616
H -1.683921 -2.959200 0.683579
H -1.108780 -2.596366 -0.941961
H 4.792288 -0.455031 1.108545
H 5.347764 -0.026027 -0.543225
H 1.936352 0.944982 -1.705213
H 3.643085 1.423459 -1.853019
H 5.928557 1.784027 1.120370
H 4.225596 1.965092 1.554715
H 4.776788 2.424870 -0.060202
H 3.003141 -0.211274 -3.663179
H 2.564864 -1.426340 -2.454950
H 4.243129 -0.921946 -2.621298
H -2.609509 3.495613 0.441966
H -1.076230 2.960690 0.935661
H -5.816110 -1.077841 -0.604613
H -6.064728 0.620509 -0.488957


%chk=000230741-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230741

0 1
O 2.397741 0.048137 1.838459
N 3.345346 0.127362 -0.279266
N -3.316506 -1.096179 -0.421125
N -3.963312 1.145507 0.316907
N -2.392438 2.671336 1.108830
N -5.548131 -0.382162 -0.479838
C 0.845031 -0.179933 -0.022818
C 0.363663 -1.631157 0.267538
C -0.145907 0.824096 0.622512
C -0.998221 -1.891814 -0.406048
C -1.597220 0.474209 0.341781
C -2.007015 -0.786304 -0.147662
C 2.247761 0.021087 0.570204
C -2.651074 1.418019 0.584826
C 4.694202 0.210118 0.339947
C 3.288314 0.184835 -1.759091
C -4.228996 -0.100681 -0.187733
C 5.144957 1.665072 0.587744
C 3.312286 -1.204733 -2.433017
H 0.837819 -0.037414 -1.119115
H 0.289501 -1.757873 1.363798
H 1.109669 -2.364898 -0.093104
H 0.081130 1.843800 0.242973
H 0.061898 0.836245 1.712495
H -1.436130 -2.844661 -0.057113
H -0.872987 -1.999646 -1.503289
H 4.650451 -0.329552 1.300559
H 5.407782 -0.313408 -0.324555
H 2.396576 0.749775 -2.082090
H 4.162089 0.773761 -2.096134
H 6.161094 1.683503 1.023059
H 4.456161 2.156173 1.295575
H 5.164938 2.251219 -0.349871
H 3.340271 -1.100176 -3.533470
H 2.416211 -1.792027 -2.165674
H 4.201778 -1.780264 -2.119447
H -3.184177 3.289186 1.272661
H -1.463161 2.942267 1.414089
H -5.783518 -1.301387 -0.841819
H -6.257574 0.322962 -0.304977


