%chk=000197893.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197893

0 1
O -6.087044 -2.002101 0.035280
O -2.252557 1.538592 -2.024174
O -2.018693 0.968340 2.508160
O 1.931807 -2.384819 -0.426283
O 2.561894 2.167761 0.115145
N -2.125425 1.334734 0.251672
N 1.899254 -0.064517 -0.131781
N -4.180725 0.094291 0.201430
C 0.427580 0.102417 -0.034776
C -0.079411 1.017387 -1.159604
C 0.049075 0.705947 1.326037
C -3.626630 1.463978 0.345465
C -1.557652 1.297465 -1.059159
C -1.428242 0.982319 1.448247
C -4.891093 -0.378761 1.428517
C -5.017120 -0.069617 -1.026493
C 2.536253 -1.352213 -0.327318
C 2.856788 1.011989 -0.045730
C -5.282547 -1.850673 1.223350
C -5.404473 -1.551411 -1.153289
C 4.004454 -1.049977 -0.365326
C 4.195131 0.351217 -0.198487
C 5.074471 -1.902466 -0.528328
C 5.456725 0.904816 -0.194072
C 6.372560 -1.336128 -0.524209
C 6.558740 0.031123 -0.361410
H -0.031635 -0.923475 -0.139605
H 0.138544 0.578230 -2.158266
H 0.469288 1.991524 -1.152798
H 0.606020 1.659137 1.503138
H 0.362288 0.037810 2.158586
H -3.952521 2.159578 -0.466015
H -3.859648 1.932751 1.332623
H -5.795501 0.222668 1.661830
H -4.190646 -0.283685 2.291918
H -4.406114 0.244919 -1.905605
H -5.932736 0.559254 -1.011356
H -4.395091 -2.502660 1.141714
H -5.957882 -2.216810 2.015994
H -6.160803 -1.718796 -1.939650
H -4.521643 -2.192022 -1.325207
H 4.933556 -2.977015 -0.656557
H 5.608139 1.977985 -0.066542
H 7.234742 -1.993809 -0.651878
H 7.567424 0.449124 -0.360985


%chk=000197893-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000197893

0 1
O -6.242036 -2.029916 0.070940
O -2.245228 1.465715 -2.097957
O -2.025501 0.842206 2.517548
O 1.989567 -2.388409 -0.470139
O 2.664797 2.236362 0.138796
N -2.120088 1.195278 0.214999
N 1.977493 -0.028321 -0.145257
N -4.363898 0.146327 0.212627
C 0.516288 0.137108 -0.054877
C -0.027788 1.047217 -1.176987
C 0.090030 0.703994 1.316334
C -3.623423 1.387449 0.314578
C -1.535977 1.245272 -1.078260
C -1.417369 0.907038 1.413961
C -5.022626 -0.351462 1.441257
C -5.179163 -0.057969 -1.005956
C 2.605424 -1.302863 -0.347741
C 2.937415 1.021084 -0.041365
C -5.389044 -1.833891 1.257458
C -5.541046 -1.547824 -1.132723
C 4.075227 -1.027134 -0.373511
C 4.274161 0.363281 -0.189977
C 5.155639 -1.906085 -0.540470
C 5.560397 0.922288 -0.166759
C 6.461791 -1.350413 -0.518683
C 6.660951 0.041546 -0.334696
H 0.104380 -0.883451 -0.176445
H 0.181166 0.631955 -2.176300
H 0.459534 2.039561 -1.117752
H 0.584801 1.680228 1.484330
H 0.382034 0.035537 2.142581
H -3.880245 2.077222 -0.506516
H -3.787207 1.877163 1.289485
H -5.953617 0.223668 1.666698
H -4.327385 -0.237799 2.291967
H -4.596880 0.264051 -1.887891
H -6.123523 0.538053 -0.970240
H -4.459699 -2.434659 1.151513
H -5.980393 -2.208247 2.109403
H -6.239430 -1.719838 -1.968419
H -4.614501 -2.142126 -1.288267
H 4.990021 -2.978647 -0.681222
H 5.702585 1.997937 -0.023898
H 7.330651 -2.004773 -0.645516
H 7.680616 0.440685 -0.322444


