%chk=000253153.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253153

0 1
O -3.472268 -1.119185 0.285959
O -3.251178 1.128622 0.429129
O -0.419942 1.516143 -2.073732
O 5.184235 -0.401141 0.796728
O 2.393552 0.875894 -2.044253
N -1.525751 -0.422403 -1.461593
N 0.716570 -0.029460 -0.731458
C -3.741923 0.111568 -0.423419
C -2.859421 0.179968 -1.688102
C -4.419242 -2.194719 0.054058
C -3.904104 1.222802 1.732571
C -0.418019 0.471981 -1.462623
C -3.934490 -3.316056 0.954169
C -3.210730 2.400420 2.389026
C 2.077940 0.297678 -1.026279
C 3.027639 -0.165608 0.000048
C 6.619108 -0.154279 0.573306
C 4.347718 0.040671 -0.185582
C 7.267084 -0.748806 1.805304
H -4.824237 0.226361 -0.620190
H -2.758101 1.245528 -2.022686
H -3.346633 -0.376933 -2.520222
H -1.557473 -1.180156 -0.767040
H -5.430660 -1.844228 0.324530
H -4.384242 -2.466508 -1.015619
H -4.981854 1.392636 1.574809
H -3.737972 0.269943 2.265374
H -2.930091 -3.653648 0.665579
H -4.606986 -4.180153 0.917206
H -3.863528 -2.981524 1.998566
H -3.350856 3.321558 1.806331
H -2.124769 2.236048 2.444838
H -3.583860 2.573775 3.403296
H 0.538421 -0.668902 0.045977
H 2.655524 -0.650392 0.898297
H 6.772402 0.935124 0.489085
H 6.916611 -0.663830 -0.358820
H 4.787341 0.529363 -1.056394
H 8.357126 -0.632099 1.780796
H 6.894858 -0.271009 2.723395
H 7.041802 -1.821042 1.899137


%chk=000253153-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000253153

0 1
O -3.582964 -1.103480 0.445772
O -3.508882 1.238767 0.722365
O -0.138659 1.134373 -2.420903
O 5.579530 -0.348106 0.779460
O 2.633965 0.019653 -2.236894
N -1.344919 -0.034070 -0.804239
N 0.971998 0.123726 -0.564175
C -3.718710 0.206970 -0.244996
C -2.651303 0.340178 -1.341051
C -4.368926 -2.191709 -0.171553
C -4.557648 1.301864 1.768053
C -0.173369 0.452085 -1.364440
C -4.216871 -3.427288 0.714757
C -4.222341 2.488218 2.668710
C 2.312873 0.024308 -1.014826
C 3.287837 -0.100925 0.099201
C 6.982750 -0.458738 0.288208
C 4.611886 -0.234793 -0.199602
C 7.879131 -0.587633 1.514509
H -4.744743 0.262117 -0.685423
H -2.607988 1.378017 -1.712912
H -2.933855 -0.304483 -2.199395
H -1.352442 -0.720947 -0.045814
H -5.433910 -1.880862 -0.244173
H -3.997923 -2.396008 -1.198308
H -5.547828 1.433735 1.277753
H -4.564853 0.348108 2.328749
H -3.158886 -3.735374 0.776353
H -4.801106 -4.269689 0.301957
H -4.576566 -3.217786 1.736883
H -4.201490 3.426470 2.088384
H -3.232297 2.349080 3.135717
H -4.976921 2.586320 3.470453
H 0.812795 0.012121 0.440222
H 2.959064 -0.071034 1.144259
H 7.223813 0.448184 -0.300351
H 7.059102 -1.347050 -0.369451
H 4.933514 -0.249697 -1.252752
H 8.936013 -0.671020 1.202848
H 7.775855 0.295643 2.167251
H 7.614877 -1.485241 2.098896


