%chk=000271690.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271690

0 1
O -3.264809 0.550291 2.223365
O 3.264607 -0.551015 -2.223905
N -5.532821 0.568282 -0.469750
N 5.532417 -0.570184 0.469871
N -2.737425 0.726504 -0.019005
N 2.737284 -0.727267 0.018456
C -7.014995 0.459911 -0.633487
C -6.189090 -0.767274 -0.316179
C 7.014534 -0.460551 0.633265
C 6.187300 0.766254 0.317977
C -5.036912 1.227549 0.760724
C 5.036776 -1.228170 -0.761383
C -3.604307 0.781259 1.076613
C 3.604147 -0.781970 -1.077149
C -1.356017 0.348046 0.023154
C 1.355843 -0.348933 -0.023699
C -0.669745 0.253349 -1.205264
C 0.678174 -0.091967 -1.229243
C -0.678348 0.091056 1.228697
C 0.669572 -0.254256 1.204718
H -7.378322 0.635412 -1.651260
H -7.701049 0.869326 0.109030
H -6.269677 -1.251091 0.658871
H -5.948525 -1.492483 -1.099984
H 7.378366 -0.637152 1.650668
H 7.700744 -0.868247 -0.110057
H 5.946260 1.490105 1.102887
H 6.267058 1.251530 -0.656418
H -5.652146 1.059241 1.675136
H -5.043071 2.330161 0.582482
H 5.043102 -2.330977 -0.584253
H 5.652169 -1.058837 -1.675507
H -3.134749 0.872560 -0.956256
H 3.134502 -0.873803 0.955675
H -1.183983 0.448864 -2.145398
H 1.207967 -0.160843 -2.187313
H -1.208138 0.159904 2.186770
H 1.183807 -0.449785 2.144851


%chk=000271690-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000271690

0 1
O -3.150310 0.953562 2.513308
O 3.149839 -0.954336 -2.513464
N -5.345873 0.570799 -0.410956
N 5.345364 -0.571653 0.410839
N -2.782900 0.532210 0.212956
N 2.782421 -0.533027 -0.213103
C -6.789331 0.594867 -0.839595
C -6.119475 -0.725055 -0.488037
C 6.788823 -0.595668 0.839482
C 6.118889 0.724241 0.488021
C -5.033276 1.092613 0.947838
C 5.032806 -1.093384 -0.947995
C -3.555405 0.839937 1.315857
C 3.554925 -0.840753 -1.316006
C -1.389968 0.270795 0.141504
C 1.389489 -0.271615 -0.141650
C -0.831827 -0.028726 -1.129587
C 0.540132 -0.298312 -1.280981
C -0.540611 0.297491 1.280836
C 0.831348 0.027905 1.129442
H -6.965823 0.860100 -1.886116
H -7.527259 0.990280 -0.129135
H -6.403838 -1.205227 0.457233
H -5.809805 -1.410766 -1.282090
H 6.965326 -0.860968 1.885985
H 7.526777 -0.990983 0.128996
H 5.809173 1.409874 1.282124
H 6.403227 1.204501 -0.457211
H -5.659236 0.661734 1.758832
H -5.196038 2.187503 0.946817
H 5.195617 -2.188267 -0.947050
H 5.658753 -0.662420 -1.758953
H -3.345439 0.488566 -0.654837
H 3.344963 -0.489375 0.654688
H -1.480056 -0.050078 -2.014756
H 0.966208 -0.528413 -2.259491
H -0.966688 0.527589 2.259346
H 1.479577 0.049257 2.014610


