%chk=000258533.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258533

0 1
O 1.397893 0.970730 0.278368
O -0.125701 -0.543037 -0.419892
O 4.285348 -1.801701 -0.829327
O 3.407606 0.705638 -1.701082
O 1.875972 -2.627852 0.712209
O 2.843294 3.571954 1.431250
N -2.810764 1.631263 0.642959
C 3.470729 -1.037940 0.057294
C 3.690046 0.443630 -0.337539
C 1.991844 -1.449656 -0.098316
C 2.777906 1.305462 0.566209
C 1.001031 -0.400925 0.462454
C 2.848938 2.803195 0.227046
C -1.279290 0.116004 -0.054076
C -2.579064 -0.450696 -0.310501
C -3.523971 0.537320 0.135380
C -1.427340 1.373361 0.513237
C -3.044847 -1.655591 -0.868185
C -4.916920 0.323765 0.034481
C -4.409675 -1.856846 -0.961633
C -5.334622 -0.873868 -0.513319
H 3.806739 -1.230322 1.105342
H 4.771808 0.707559 -0.254242
H 1.752324 -1.691379 -1.162124
H 2.972277 1.131441 1.647415
H 0.717144 -0.548849 1.521277
H 2.009847 3.101349 -0.430883
H 3.810062 3.078963 -0.251160
H 4.217924 -2.758056 -0.595930
H 2.437980 0.604968 -1.880163
H 1.049805 -3.113821 0.489013
H -0.667306 2.072173 0.814105
H 1.954955 3.553599 1.844388
H -3.204021 2.474536 1.009819
H -2.330037 -2.398590 -1.215884
H -5.620976 1.075940 0.372928
H -4.799133 -2.779246 -1.387313
H -6.400105 -1.082778 -0.612304


%chk=000258533-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000258533

0 1
O 1.486430 0.987574 -0.224912
O -0.178178 -0.676896 -0.432253
O 4.522799 -1.918068 -0.287277
O 3.985268 0.664231 -1.601780
O 1.843030 -2.728925 0.257350
O 1.754700 3.605763 0.572939
N -2.755458 1.342871 1.178162
C 3.510773 -1.010320 0.225411
C 3.871013 0.446303 -0.159413
C 2.107140 -1.393459 -0.288356
C 2.776658 1.367951 0.434823
C 1.071077 -0.368150 0.196959
C 2.945199 2.864040 0.145024
C -1.319647 -0.026344 0.086109
C -2.658525 -0.456563 -0.235489
C -3.546004 0.431081 0.471701
C -1.394649 1.074379 0.940060
C -3.196844 -1.492542 -1.042207
C -4.950998 0.302848 0.386494
C -4.595343 -1.620958 -1.127127
C -5.462106 -0.732836 -0.420305
H 3.473342 -1.066027 1.339690
H 4.869821 0.689410 0.241727
H 2.091925 -1.413168 -1.397692
H 2.674780 1.208930 1.530201
H 0.966859 -0.384896 1.307218
H 3.158653 3.017788 -0.930846
H 3.781186 3.271602 0.736843
H 4.194931 -2.841234 -0.123883
H 3.066321 0.651677 -1.981156
H 0.983568 -3.059392 -0.107503
H -0.607000 1.688833 1.368991
H 0.985474 3.217731 0.079197
H -3.102248 2.097525 1.765061
H -2.534802 -2.169815 -1.591139
H -5.622527 0.981299 0.924219
H -5.032073 -2.411964 -1.746359
H -6.546846 -0.858583 -0.509182


