%chk=000236776.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236776

0 1
O -2.574030 0.982730 -1.252829
O 2.578689 -0.987019 -1.275498
O -2.794236 3.011733 -0.198892
O 2.846591 -3.020171 -0.245134
N -2.912419 -1.955791 0.168229
N 2.914131 1.955858 0.168335
N -3.647879 1.049154 0.753276
N 3.624291 -1.047647 0.749627
C -1.107356 -0.900418 -1.174401
C 1.113331 0.897887 -1.175431
C -2.298988 -1.821004 -1.199863
C 2.304792 1.818652 -1.201279
C -1.269738 0.500131 -1.175229
C 1.275894 -0.502501 -1.185523
C 0.199276 -1.397327 -1.185034
C -0.193344 1.394956 -1.175712
C -1.946348 -2.539303 1.145686
C -4.137372 -2.809884 0.080557
C 4.148470 2.796265 0.080788
C 1.950217 2.555142 1.138342
C -2.996497 1.821646 -0.170314
C 3.011407 -1.825119 -0.196007
C -4.382787 1.663339 1.875253
C 4.355076 -1.657772 1.876598
H -3.078843 -1.375856 -1.867801
H -2.016933 -2.800633 -1.646007
H 3.085883 1.372320 -1.867009
H 2.023455 2.797287 -1.649964
H 0.400488 -2.471691 -1.195443
H -0.394826 2.469513 -1.177684
H -2.430885 -2.627926 2.129904
H -1.547312 -3.526130 0.867220
H -1.092976 -1.849599 1.261571
H -3.959081 -3.839527 -0.264134
H -4.611527 -2.861740 1.073448
H -4.861324 -2.338911 -0.603908
H 4.870659 2.312814 -0.596882
H 4.618506 2.849989 1.075546
H 3.982636 3.825265 -0.271898
H 1.088853 1.875481 1.254538
H 1.562933 3.544582 0.852548
H 2.431481 2.644343 2.124114
H -3.671210 0.018649 0.647748
H 3.627741 -0.015102 0.655673
H -4.037891 1.236894 2.832929
H -5.467486 1.484538 1.775427
H -4.220524 2.757920 1.909543
H 3.984802 -1.250243 2.833002
H 5.436823 -1.452964 1.796851
H 4.217785 -2.756110 1.896019


%chk=000236776-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000236776

0 1
O -2.616318 1.048283 -1.334405
O 2.617195 -1.047800 -1.327979
O -3.292271 2.960439 -0.112864
O 3.276410 -2.962476 -0.099528
N -3.021056 -1.883684 0.083236
N 3.022230 1.883636 0.082364
N -3.442907 0.797377 0.824237
N 3.446121 -0.796851 0.828920
C -1.126077 -0.891388 -1.244707
C 1.126410 0.890923 -1.244765
C -2.332040 -1.812254 -1.254649
C 2.332550 1.811562 -1.255199
C -1.300818 0.518637 -1.249900
C 1.301115 -0.519163 -1.247080
C 0.194950 -1.395114 -1.262205
C -0.194543 1.394546 -1.265187
C -2.175405 -2.554878 1.106680
C -4.346920 -2.545990 -0.046611
C 4.347632 2.546743 -0.048620
C 2.176745 2.555104 1.105821
C -3.140811 1.719539 -0.130368
C 3.136177 -1.720332 -0.121688
C -4.000664 1.201475 2.120334
C 4.001623 -1.199668 2.126342
H -3.078000 -1.427976 -1.972601
H -2.026112 -2.832681 -1.580252
H 3.078275 1.427041 -1.973273
H 2.026618 2.831934 -1.581024
H 0.381276 -2.474314 -1.292478
H -0.380890 2.473673 -1.297900
H -2.697444 -2.544080 2.079699
H -1.950699 -3.612823 0.839284
H -1.220652 -2.014342 1.212798
H -4.264995 -3.594781 -0.412872
H -4.850111 -2.561391 0.936176
H -4.975528 -1.975638 -0.752027
H 4.976054 1.976595 -0.754362
H 4.851545 2.562691 0.933794
H 4.264810 3.595402 -0.415069
H 1.222173 2.014344 1.212483
H 1.951709 3.612878 0.838035
H 2.699141 2.544880 2.078660
H -3.296260 -0.236613 0.587606
H 3.301075 0.236813 0.589606
H -3.362958 0.846269 2.951614
H -5.020240 0.794904 2.259959
H -4.056261 2.301654 2.160106
H 3.364468 -0.840763 2.956482
H 5.022252 -0.795720 2.265603
H 4.053823 -2.299924 2.168668


