%chk=000231973.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231973

0 1
O 2.670216 -0.722994 -0.043067
O 3.534519 1.405505 -0.410834
O -3.632219 0.879175 -0.050819
O -2.522376 -1.144153 -0.359904
N -0.039656 0.507415 -0.553542
C 1.154385 1.051384 0.157253
C -1.306775 0.985864 0.071660
C 2.403553 0.566510 -0.600541
C -2.475790 0.254140 -0.611238
C 3.713966 -1.481329 -0.719223
C 4.025651 1.557260 0.950530
C -4.896455 0.482627 -0.657210
C -2.662196 -1.568895 1.024780
C 3.959715 -2.672402 0.187924
C 5.471056 1.990396 0.785199
C -5.950757 1.065094 0.265068
C -3.267381 -2.958293 0.935960
H 1.217190 0.752759 1.225973
H 1.126690 2.163904 0.122116
H -1.409159 2.079914 -0.117090
H -1.357618 0.856644 1.172761
H 2.304107 0.545367 -1.706071
H -2.461884 0.290844 -1.720979
H -0.012019 -0.525053 -0.519114
H 4.602984 -0.834887 -0.830271
H 3.329005 -1.773713 -1.711308
H 3.925591 0.593469 1.481505
H 3.405470 2.329747 1.435436
H -4.931899 0.914424 -1.672095
H -4.932673 -0.620417 -0.710025
H -1.650368 -1.576251 1.464275
H -3.311016 -0.853323 1.561098
H 4.700164 -3.355943 -0.240516
H 4.317120 -2.352754 1.175245
H 3.031618 -3.235579 0.357381
H 5.923967 2.253307 1.746491
H 6.074967 1.198398 0.324814
H 5.543543 2.863894 0.121784
H -6.960903 0.887620 -0.118475
H -5.883056 0.630785 1.270890
H -5.814433 2.149192 0.382673
H -3.305305 -3.442700 1.916994
H -4.285344 -2.926045 0.528198
H -2.680193 -3.597306 0.261210


%chk=000231973-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231973

0 1
O 2.455298 -0.700422 -0.143233
O 3.657989 1.397053 -0.320446
O -3.687439 0.867279 -0.043010
O -2.331183 -1.136390 -0.229224
N -0.028503 0.628302 -0.509683
C 1.164589 1.302297 0.023538
C -1.309352 1.144632 -0.003713
C 2.418636 0.685277 -0.610502
C -2.457967 0.291452 -0.557706
C 3.394713 -1.557009 -0.900773
C 3.989679 1.546797 1.116785
C -4.903503 0.353059 -0.713011
C -2.323780 -1.450448 1.220768
C 3.346741 -2.950681 -0.277192
C 5.473415 1.906009 1.195556
C -6.105926 1.014223 -0.042284
C -2.521761 -2.961075 1.345773
H 1.246740 1.236449 1.137095
H 1.133515 2.374983 -0.247428
H -1.456743 2.183394 -0.353660
H -1.380231 1.168178 1.112371
H 2.353371 0.718262 -1.715839
H -2.443513 0.280600 -1.666078
H 0.043662 -0.394229 -0.410559
H 4.411190 -1.119403 -0.846980
H 3.081819 -1.581389 -1.966671
H 3.772301 0.597066 1.644308
H 3.367205 2.351233 1.559671
H -4.854921 0.606968 -1.793940
H -4.936478 -0.750346 -0.617677
H -1.354852 -1.143671 1.666966
H -3.135794 -0.887992 1.721527
H 4.028923 -3.635243 -0.813823
H 3.652420 -2.912697 0.782888
H 2.324893 -3.365346 -0.327984
H 5.776499 2.067616 2.246604
H 6.092894 1.096701 0.771276
H 5.678565 2.829612 0.626717
H -7.045375 0.674485 -0.515570
H -6.141993 0.757431 1.030716
H -6.045644 2.112684 -0.131801
H -2.506465 -3.265546 2.408577
H -3.488483 -3.263834 0.907058
H -1.719145 -3.502720 0.815490


