%chk=000238478.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238478

0 1
O -0.237187 -3.377040 1.371686
N 3.516732 1.132748 0.561921
N -2.687366 0.924030 -1.357388
C 1.143426 -2.875392 -0.545445
C 1.694556 -1.435090 -0.669163
C -0.161116 -2.834702 0.291624
C 0.821623 -3.425683 -1.943503
C 2.154276 -3.796311 0.147673
C -1.327125 -2.071228 -0.299193
C 2.001787 -0.781260 0.684968
C -2.353152 -1.683741 0.769885
C -3.465984 -0.793713 0.200660
C 2.225934 0.698481 0.521217
C -2.979585 0.606126 -0.064310
C 1.143663 1.585514 0.336723
C -2.837991 1.541461 0.983494
C 1.407653 2.947141 0.190601
C 3.754547 2.462959 0.418278
C 2.729918 3.402951 0.230095
C -2.403094 2.831763 0.682358
C -2.263303 2.185813 -1.632443
C -2.111911 3.169850 -0.644191
H 2.619493 -1.451642 -1.281420
H 0.976201 -0.809850 -1.238045
H 0.328124 -4.402888 -1.887290
H 0.176084 -2.756353 -2.521803
H 1.740131 -3.567616 -2.527027
H 1.821917 -4.841260 0.130969
H 2.275395 -3.532640 1.207437
H 3.138863 -3.747111 -0.326744
H -0.975174 -1.164691 -0.837725
H -1.808079 -2.693787 -1.082585
H 2.901447 -1.258677 1.135945
H 1.182856 -0.957027 1.413011
H -2.794040 -2.603029 1.208794
H -1.844599 -1.175890 1.614240
H -3.869243 -1.242156 -0.734812
H -4.322092 -0.764675 0.905826
H 0.122016 1.211262 0.310449
H -3.068914 1.256222 2.006868
H 0.587522 3.650541 0.046777
H 4.807133 2.766269 0.458614
H 2.960796 4.458042 0.119310
H -2.293071 3.572626 1.474631
H -2.044941 2.396520 -2.686053
H -1.785530 4.171732 -0.906916


%chk=000238478-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000238478

0 1
O -0.247855 -3.146231 1.535167
N 3.816823 0.923091 0.089539
N -2.451611 0.837424 -1.051842
C 1.152621 -2.796769 -0.454104
C 1.692844 -1.332367 -0.629950
C -0.180935 -2.737981 0.341671
C 0.911446 -3.389900 -1.872749
C 2.180553 -3.671794 0.302119
C -1.405975 -2.132228 -0.345489
C 1.950393 -0.556199 0.690484
C -2.612705 -1.937093 0.593893
C -3.712855 -1.024772 -0.028390
C 2.484025 0.834995 0.408500
C -3.316721 0.440451 -0.059643
C 1.646669 1.981224 0.442579
C -3.797088 1.357111 0.914060
C 2.194726 3.249430 0.149058
C 4.331365 2.154227 -0.194091
C 3.567321 3.343896 -0.176048
C -3.389354 2.707891 0.863417
C -2.061498 2.145386 -1.086554
C -2.502518 3.116611 -0.159526
H 2.647463 -1.389328 -1.188916
H 0.988577 -0.753018 -1.259542
H 0.467407 -4.401174 -1.814698
H 0.247881 -2.751996 -2.483518
H 1.876677 -3.476512 -2.405034
H 1.859781 -4.728994 0.313130
H 2.285609 -3.358532 1.353221
H 3.167503 -3.609589 -0.192313
H -1.133701 -1.168386 -0.819498
H -1.692104 -2.788350 -1.193941
H 2.697376 -1.101541 1.293427
H 1.019954 -0.490420 1.284292
H -3.053268 -2.921170 0.839757
H -2.270530 -1.513296 1.556697
H -3.923176 -1.360877 -1.061370
H -4.644950 -1.135212 0.556154
H 0.586976 1.874300 0.699163
H -4.483196 1.009069 1.693382
H 1.565449 4.146030 0.177531
H 5.399928 2.178370 -0.439856
H 4.035213 4.306336 -0.406486
H -3.757210 3.427028 1.603324
H -1.371831 2.414275 -1.895741
H -2.166906 4.155181 -0.243268


