%chk=000179485.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179485

0 1
O 0.089962 2.939016 0.317297
N -0.018559 -1.794154 -0.224834
N 2.878943 0.585973 -0.022558
C 0.050774 0.508308 0.013610
C -1.336620 0.096572 0.041675
C 0.841939 -0.683187 -0.133512
C -1.349454 -1.333584 -0.111725
C 0.734031 1.728609 0.114706
C 2.262420 -0.611314 -0.155914
C -2.545667 0.779217 0.210734
C -2.546758 -2.064747 -0.129660
C 2.140408 1.723109 0.102980
C -3.732002 0.051352 0.194655
C -3.729805 -1.349315 0.021964
C 3.084432 -1.821751 -0.331200
C -0.564981 3.460159 -0.870512
C 4.285208 -1.981322 0.226875
H 0.271320 -2.750426 -0.293944
H -2.544505 1.857808 0.366833
H -2.548050 -3.142474 -0.252469
H 2.701506 2.657991 0.206789
H -4.682988 0.564903 0.323425
H -4.682270 -1.880298 0.013622
H 2.640620 -2.586800 -0.970596
H -1.090863 4.337203 -0.475635
H -1.261645 2.727787 -1.287517
H 0.193625 3.750034 -1.603623
H 4.889819 -2.866632 0.092027
H 4.750763 -1.225338 0.851306


%chk=000179485-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179485

0 1
O 0.000306 2.939068 0.373938
N -0.053597 -1.805746 -0.133080
N 2.856806 0.560376 0.149936
C 0.013205 0.481261 0.100434
C -1.382695 0.069407 0.075316
C 0.814267 -0.707493 -0.018608
C -1.385723 -1.361401 -0.077855
C 0.693281 1.715503 0.228936
C 2.236744 -0.654132 0.000539
C -2.613891 0.760742 0.184584
C -2.583561 -2.104025 -0.140622
C 2.108604 1.695189 0.257807
C -3.814636 0.023935 0.124815
C -3.797133 -1.390555 -0.040239
C 3.065190 -1.867011 -0.132302
C -0.432141 3.542773 -0.904718
C 4.425745 -1.880090 -0.103848
H 0.235232 -2.776409 -0.223692
H -2.627128 1.844514 0.334994
H -2.579856 -3.192904 -0.258471
H 2.654593 2.636932 0.383507
H -4.775643 0.541697 0.211949
H -4.745421 -1.937740 -0.084295
H 2.528260 -2.818209 -0.264538
H -0.966310 4.465446 -0.631354
H -1.107149 2.863955 -1.461338
H 0.444459 3.787163 -1.534819
H 4.991511 -2.811497 -0.209677
H 4.978286 -0.944052 0.027501


