%chk=000198887.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198887

1 1
O 1.663645 1.203269 -2.517804
O 2.806911 -0.741094 -2.233346
N -2.241423 0.700781 -0.296861
N 0.599359 1.314397 -0.516080
N 0.945961 2.072746 -1.672892
C -2.780050 0.572644 -1.694645
C -3.266032 0.272606 0.718525
C -3.151816 -0.894047 -1.967801
C -3.655285 -1.194517 0.477351
C -4.176892 -1.402144 -0.948518
C -1.742171 2.077901 -0.017837
C -0.287048 1.959528 0.491977
C 1.272560 0.171864 -0.459974
C 1.339025 -0.820292 0.591872
C 2.055705 0.035460 -1.761386
C 2.595740 -1.362629 0.941541
C 0.168549 -1.275593 1.232069
C 2.674250 -2.321252 1.949492
C 0.262908 -2.242404 2.231360
C 1.511873 -2.761316 2.596545
H -1.997016 0.897137 -2.409181
H -3.669425 1.220022 -1.866656
H -4.178979 0.909075 0.689816
H -2.824998 0.384225 1.731822
H -2.245389 -1.529659 -1.936466
H -3.555714 -0.985946 -2.995801
H -4.426981 -1.494524 1.214428
H -2.785985 -1.856675 0.657626
H -5.145518 -0.881589 -1.083767
H -4.389873 -2.475263 -1.124601
H -1.797148 2.748968 -0.901252
H -2.327599 2.610803 0.772314
H 0.127548 2.971086 0.740251
H -0.253003 1.352484 1.433963
H 0.125449 2.395808 -2.234794
H 3.504940 -1.033993 0.431561
H -0.813960 -0.901283 0.920308
H 3.646438 -2.737678 2.231553
H -0.641240 -2.604725 2.727672
H 1.580081 -3.518982 3.384118


%chk=000198887-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198887

1 1
O 1.956741 1.661040 -2.412917
O 3.142386 -0.367348 -2.202442
N -2.386103 0.686015 -0.055581
N 0.654318 1.451522 -0.520678
N 1.046753 2.384034 -1.544940
C -2.414014 0.172549 -1.458905
C -3.697029 0.524252 0.649907
C -2.867827 -1.299376 -1.519942
C -4.162236 -0.944822 0.629281
C -4.230302 -1.483872 -0.816928
C -1.776801 2.008507 0.080673
C -0.266085 1.988851 0.500263
C 1.383543 0.311485 -0.562349
C 1.373119 -0.788433 0.383361
C 2.284044 0.383951 -1.749890
C 2.591055 -1.513550 0.596574
C 0.187499 -1.169160 1.093625
C 2.627085 -2.556209 1.538591
C 0.243886 -2.215666 2.029182
C 1.460411 -2.906416 2.261691
H -1.400461 0.271823 -1.894183
H -3.102307 0.798724 -2.077953
H -4.475168 1.163125 0.168094
H -3.574068 0.875730 1.690875
H -2.107492 -1.940284 -1.032766
H -2.928262 -1.611492 -2.578629
H -5.150400 -1.011809 1.119662
H -3.458696 -1.559903 1.224886
H -5.016602 -0.940644 -1.378975
H -4.518513 -2.549974 -0.816230
H -1.889019 2.624353 -0.843082
H -2.279958 2.572079 0.887711
H 0.063646 3.024475 0.698983
H -0.134041 1.386651 1.411599
H 0.235856 2.689166 -2.125515
H 3.497319 -1.249046 0.044980
H -0.775509 -0.692002 0.853158
H 3.561729 -3.098304 1.709499
H -0.664115 -2.517373 2.560625
H 1.493014 -3.727449 2.985186


