%chk=000201660.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201660

0 1
O 0.832644 -1.480461 1.970715
O -1.348050 0.984935 -1.565181
O 2.044948 3.814451 -2.041645
O 2.778446 1.724295 -1.755057
N 2.598852 -1.449526 0.550860
N -0.773992 -0.049008 0.381486
C 3.305204 -2.548325 1.276588
C 3.322336 -1.041695 -0.686191
C 4.438607 -2.994574 0.339674
C 4.620742 -1.867394 -0.694889
C 0.681717 0.126609 0.171644
C 1.367307 -1.004332 0.971004
C 1.173422 1.495407 0.691269
C 0.963254 2.604188 -0.339878
C -1.702882 0.369010 -0.567476
C 2.011645 2.595223 -1.404989
C -3.129629 0.041526 -0.255749
C -4.095636 1.038737 -0.452940
C -3.508771 -1.233413 0.184690
C -5.439715 0.763754 -0.188153
C -4.855621 -1.503370 0.443319
C -5.819177 -0.505534 0.261375
H 2.593574 -3.367848 1.514030
H 3.689199 -2.159852 2.244091
H 3.526103 0.054393 -0.675611
H 2.700042 -1.248492 -1.583205
H 4.179159 -3.944007 -0.162535
H 5.371034 -3.180784 0.898213
H 4.827904 -2.273516 -1.699325
H 5.485647 -1.232472 -0.430620
H 0.901870 0.041960 -0.931060
H 2.246005 1.430412 0.970225
H 0.639511 1.754886 1.629613
H -1.047258 -0.493941 1.265558
H -0.039484 2.488088 -0.843328
H 0.917392 3.601288 0.148622
H -3.793017 2.020478 -0.822420
H -2.762558 -2.017869 0.316974
H 2.699882 3.842256 -2.789437
H -6.191764 1.537232 -0.337474
H -5.153946 -2.493458 0.785473
H -6.867946 -0.718757 0.466339


%chk=000201660-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201660

0 1
O 0.810038 -1.630137 1.937486
O -1.212328 1.017070 -1.608256
O 1.158857 3.884033 -2.013995
O 2.465331 1.983849 -1.807915
N 2.601271 -1.598985 0.457338
N -0.656274 0.019650 0.412927
C 3.288996 -2.735565 1.135642
C 3.321024 -1.163090 -0.777209
C 4.416532 -3.123052 0.149504
C 4.717565 -1.800061 -0.603066
C 0.794378 0.099436 0.204150
C 1.406453 -1.124631 0.921402
C 1.407804 1.400108 0.813803
C 0.995114 2.679051 0.062742
C -1.571602 0.408552 -0.542684
C 1.619031 2.768442 -1.315358
C -3.022168 0.102316 -0.260573
C -3.990777 0.771275 -1.051912
C -3.453528 -0.821859 0.727780
C -5.366414 0.537152 -0.849624
C -4.831353 -1.058507 0.927192
C -5.791454 -0.376678 0.143736
H 2.570017 -3.548405 1.335498
H 3.685429 -2.398204 2.112387
H 3.346715 -0.065795 -0.876383
H 2.812835 -1.570104 -1.675055
H 4.054154 -3.888507 -0.561157
H 5.298638 -3.531872 0.669813
H 5.223037 -1.958194 -1.570202
H 5.357323 -1.144802 0.016566
H 0.989855 0.083497 -0.881685
H 2.510649 1.314005 0.815273
H 1.081283 1.469338 1.868006
H -0.922099 -0.492211 1.262535
H -0.099669 2.742544 -0.061364
H 1.300413 3.580340 0.629570
H -3.633631 1.462758 -1.822086
H -2.731625 -1.385760 1.330544
H 1.557727 3.890274 -2.926157
H -6.105974 1.062527 -1.463883
H -5.154629 -1.777924 1.687530
H -6.859945 -0.561374 0.301739


