%chk=000192904.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000192904

0 1
O 0.382003 -1.736069 -1.209619
O 3.463029 -3.722944 1.057276
O 2.421582 -2.784101 2.803464
O -0.059354 1.250551 2.027286
N 1.164959 -1.062174 0.830925
N -1.124993 0.902904 0.048718
N 5.863912 3.452932 -1.223465
C 3.612357 -0.532723 0.783385
C 2.517934 -1.601134 0.608408
C 3.599875 0.472685 -0.374094
C -1.189536 -0.561522 0.251831
C 4.706539 1.519415 -0.204566
C -2.287904 -1.198728 -0.615513
C 0.181825 -1.173780 -0.147107
C 4.714102 2.512713 -1.377940
C 2.746356 -2.707892 1.645779
C -3.639937 -0.592517 -0.366889
C -4.289080 -0.790052 0.862003
C -4.262336 0.171320 -1.365464
C -0.595723 1.735859 1.040790
C -5.546027 -0.224269 1.087820
C -5.521712 0.732646 -1.134392
C -6.164694 0.538763 0.091577
C -0.713054 3.206779 0.779071
H 4.603602 -1.030427 0.837082
H 3.486541 -0.004004 1.750920
H 2.576023 -2.056423 -0.428480
H 3.726003 -0.060506 -1.338205
H 2.610482 0.968045 -0.431224
H -1.389825 -0.773899 1.341403
H 5.699336 1.026879 -0.139756
H 4.580384 2.059179 0.753457
H 1.017757 -0.491584 1.680128
H -2.317201 -2.293903 -0.414413
H -2.001943 -1.139957 -1.690913
H 3.732197 3.027651 -1.449623
H 4.858737 1.963544 -2.336370
H -1.594969 1.270357 -0.773709
H -3.816047 -1.386183 1.640397
H -3.774841 0.318417 -2.326948
H 5.863894 4.136406 -1.974096
H 5.794216 3.968120 -0.351612
H -6.046503 -0.379919 2.042925
H -6.003886 1.320169 -1.914411
H 3.650291 -4.477719 1.677049
H -7.144932 0.976207 0.269717
H -0.216743 3.772583 1.586630
H -0.241016 3.510673 -0.164394
H -1.760278 3.541233 0.755362


%chk=000192904-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000192904

0 1
O 0.144441 -2.329120 -1.068145
O 3.803789 -3.630758 0.870304
O 1.896724 -3.303277 2.156454
O 0.247980 1.449943 1.457443
N 1.199853 -1.047195 0.571434
N -1.153883 0.741031 -0.249794
N 5.874839 3.718024 -0.545143
C 3.658037 -0.648378 0.686165
C 2.513500 -1.655206 0.378730
C 3.630822 0.583932 -0.244037
C -1.199917 -0.668533 0.207177
C 4.796913 1.556865 0.036868
C -2.427806 -1.394429 -0.392040
C 0.107587 -1.434807 -0.167564
C 4.746250 2.816735 -0.851446
C 2.652017 -2.919958 1.242280
C -3.741311 -0.665428 -0.147195
C -4.259728 -0.516752 1.166271
C -4.474586 -0.112608 -1.228398
C -0.479976 1.723048 0.440143
C -5.473134 0.167975 1.392782
C -5.691045 0.575372 -1.006725
C -6.193199 0.719681 0.306030
C -0.637196 3.147447 -0.069802
H 4.619031 -1.182753 0.577123
H 3.584838 -0.320306 1.743147
H 2.589656 -1.988855 -0.674093
H 3.675425 0.245245 -1.299820
H 2.669114 1.119709 -0.120653
H -1.263392 -0.641612 1.312769
H 5.771314 1.056607 -0.123446
H 4.767455 1.864595 1.104042
H 1.072768 -0.262745 1.235271
H -2.450398 -2.406181 0.051822
H -2.251630 -1.546689 -1.472257
H 3.739141 3.292513 -0.732833
H 4.830613 2.512083 -1.912899
H -1.749794 0.998925 -1.039536
H -3.713533 -0.946586 2.015461
H -4.101797 -0.240887 -2.253133
H 6.004472 4.484906 -1.211682
H 5.888343 4.047757 0.425538
H -5.860272 0.268545 2.413021
H -6.246553 0.989771 -1.855718
H 3.879806 -4.449053 1.431623
H -7.136474 1.248819 0.481295
H 0.356428 3.553750 -0.327351
H -1.297331 3.228000 -0.949977
H -1.046800 3.774434 0.740694


